%WATFILE/Plus V3.5 Saved 02/07/30 12:24:37 define Name = 38 L define Edge = 11 L define Alpha Formula = 12 L define Filename = 11 L bye triphenyl silanol C 1s C18H16OSi a2-0cckk.os triphenyl silanol O 1s C18H16OSi a2-0ookk.os triphenyl silanol Si 2p C18H16OSi a2-0sill.os Boron B 1s B aaa-bbkk.os Carbon C 1s C aaa-cckk.os Chlorine Cl 2p Cl aaa-clll.os Cobalt Co 2p Co aaa-coll.os Iron Fe 2p,2s Fe aaa-fell.os Fluorine F 1s F aaa-ffkk.os Manganese Mn 2p,2s Mn aaa-mnll.os Neon Ne 1s Ne aaa-nell.os Nitrogen N 1s N aaa-nnkk.os Oxygen O 1s O aaa-ookk.os Selenium Se 3d,3p,3sSe aaa-semm.os Silicon Si 2p,2s Si aaa-sill.os Sulfur S 2p,2s S aaa-ssll.os titanium Ti 2p,2s Ti aaa-till.os Air (background) N 1s N2 ab-0nnkk.os Air (background) N 1s, O 1s N2 ab-0nokk.os Air (background) O 1s O2 ab-0ookk.os Acrylic acid C 1s C3H4O2 ac-0cckk.os Acrylic acid O 1s C3H4O2 ac-0ookk.os Perfluoroadamantine C 1s C10F16 ad-0cckk.os Perfluoroadamantine F 1s C10F16 ad-0ffkk.os Acetylene C 1s C2H2 ae-0cckk.os Trifluoroacetic acid C 1s C2F3HO2 af-0cckk.os Trifluoroacetic acid F 1s C2F3HO2 af-0ffkk.os Trifluoroacetic acid O 1s C2F3HO2 af-0ookk.os alanine C1s CH7NO2 H-0CCKK.OS alanine N1s CH7NO2 H-0NNKK.OS alanine 01s CH7NO2 H-0OOKK.OS Acetic acid C 1s C2H4O2 ai-0cckk.os Acetic acid O 1s C2H4O2 ai-0ookk.os Allylic alcohol C 1s C3H6O al-0cckk.os Allylic alcohol O 1s C3H6O al-0ookk.os Adamantine C 1s C10H16 am-0cckk.os Acetonitrile C 1s C2H3N an-0cckk.os Acetonitrile N 1s C2H3N an-0nnkk.os Phenylalanine C1s C8H9NO2 P-0CCKK.OS Phenylalanine N1s C8H9NO2 P-ONNKK.OS Phenylalanine O1s C8H9NO2 P-0OOKK.OS Acetone C1s C3H6O T-0CCKK.OS Acetone 01s C3H6O T-0OOKK.OS N,N Dimethylaniline C 1s C8H11N ax-0cckk.os N,N Dimethylaniline N 1s C8H11N ax-0nnkk.os Aniline C 1s C6H7N ay-0cckk.os Aniline N 1s C6H7N ay-0nnkk.os Azulene C 1s C10H8 az-0cckk.os n-Butane C 1s C4H10 ba-0cckk.os m-carborane B 1s B10C2H12 bc-0bbkk.os m-carborane C 1s B10C2H12 bc-0cckk.os Butyl acrylate C 1s C7H12O2 be-0cckk.os Butyl acrylate O 1s C7H12O2 be-0ookk.os borontrifluoride B 1s BF3 bf-0bbkk.os borontrifluoride F 1s BF3 bf-0ffkk.os Ortho-carborane B 1s B10C2H12 bg-0bbkk.os Ortho-carborane C 1s B10C2H12 bg-0cckk.os Diethylcarborane B 1s B4C6H14 bh-0bbkk.os Diethylcarborane C 1s B4C6H14 bh-0cckk.os Iron-phosphaborane B 1s B5C17FeH22O2bi-0bbkk.os Iron-phosphaborane C 1s B5C17FeH22O2bi-0cckk.os Iron-phosphaborane Fe 2p B5C17FeH22O2bi-0fell.os Decaborane B 1s B10H14 bj-0bbkk.os Pentaborane B 1s B5H9 bk-0bbkk.os S-naphthalene C 1s C6H4N2S2 bl-0cckk.os S-naphthalene N 1s C6H4N2S2 bl-0nnkk.os S-naphthalene S 2p,2s C6H4N2S2 bl-0sskk.os Diphenyl-phosphaborane B 1s B5C12H18P bm-0bbkk.os Diphenyl-phosphaborane C 1s B5C12H18P bm-0cckk.os Benzaldehyde C 1s C7H6O bn-0cckk.os Benzaldehyde O 1s C7H6O bn-0ookk.os Borazine B 1s B3H6N3 bo-0bbkk.os Borazine N 1s B3H6N3 bo-0nnkk.os Bis(t-Butyl)peroxide C 1s C8H18O2 bp-0cckk.os Bis(t-Butyl)peroxide O 1s C8H18O2 bp-0ookk.os Benzonitrile C 1s C7H5N bq-0cckk.os Benzonitrile N 1s C7H5N bq-0nnkk.os Butadiene C 1s C4H8 bt-0cckk.os Biuret 1s C2H5N3O2 U-0CCKK.OS Biuret 1s C2H5N3O2 U-0NNKK.OS 1,3,5,2,4-benzotrithiadiazepine C 1s C6H4N2S3 bv-0cckk.os 1,3,5,2,4-benzotrithiadiazepine N 1s C6H4N2S3 bv-0nnkk.os 1,3,5,2,4-benzotrithiadiazepine S 2p,2s C6H4N2S3 bv-0sskk.os 2,1,3-benzotrithiadiazole C 1s C6H4N2S bw-0cckk.os 2,1,3-benzotrithiadiazole N 1s C6H4N2S bw-0nnkk.os 2,1,3-benzotrithiadiazole S 2p,2s C6H4N2S bw-0sskk.os 2-Butyne C 1s C4H6 by-0cckk.os Benzene C 1s C6H6 bz-0cckk.os Benzenechromium tricarbonyl C 1s C9CrH6O3 ca-0cckk.os Benzenechromium tricarbonyl O 1s C9CrH6O3 ca-0ookk.os Cyclobutane C 1s C4H8 cb-0cckk.os Dicobaltoctacarbonyl C 1s C8Co2O8 cc-0cckk.os Dicobaltoctacarbonyl Co 2p C8Co2O8 cc-0col3.os Dicobaltoctacarbonyl O 1s C8Co2O8 cc-0ookk.os Carbon dioxide C 1s CO2 cd-0cckk.os Carbon dioxide O 1s CO2 cd-0ookk.os 1,2-dichloroethane C 1s C2Cl2H4 ce-0cckk.os 1,2-dichloroethane Cl 2p C2Cl2H4 ce-0cll3.os Carbonyl Fluoride C 1s CF2O cf-0cckk.os Carbonyl Fluoride F 1s CF2O cf-0ffkk.os Carbonyl Fluoride O 1s CF2O cf-0ookk.os Cyclohexene C 1s C6H8 ch-0cckk.os cis-1,2-difluoroethene C 1s C2F2H2 ci-0cckk.os cis-1,2-difluoroethene F 1s C2F2H2 ci-0ffkk.os Cyclopentadienylcobalt dicarbonyl C 1s C7CoH5O2 cm-0cckk.os Cyclopentadienylcobalt dicarbonyl Co 2p C7CoH5O2 cm-0col3.os Cyclopentadienylcobalt dicarbonyl O 1s C7CoH5O2 cm-0ookk.os Carbonmonoxide C 1s CO co-0cckk.os Carbonmonoxide O 1s CO co-0ookk.os Cyclopropane C 1s C3H6 cp-0cckk.os Carbondisulphide C 1s CS2 cs-0cckk.os Carbondisulphide S 2p CS2 cs-0ssl3.os Toluenechromiumtricarbonyl C 1s C10CrH8O3 ct-0cckk.os Chromocene C 1s C10CrH10 cx-0cckk.os Cobaltacene C 1s C10CoH10 cy-0cckk.os Cobaltacene Co 2p C10CoH10 cy-0col3.os bis-benzenechromium C 1s C12CrH12 cz-0cckk.os Decylalcohol C 1s C10H22O da-0cckk.os t-butyl-ferrocene C 1s C14FeH18 dc-0cckk.os t-butyl-ferrocene Fe 2p C14FeH18 dc-0fel3.os Diethylether C 1s C4H10O de-0cckk.os Diethylether O 1s C4H10O de-0ookk.os Difluorobenzene C 1s C6F2H4 df-0cckk.os Difluorobenzene F 1s C6F2H4 df-0ffkk.os Dicyanoimidazole C 1s C5H2N4 di-0cckk.os Dicyanoimidazole N 1s C5H2N4 di-0nnkk.os 2,2Dimethylpropane C 1s C5H12 dm-0cckk.os Diazadiene C 1s C10H20N2 dn-0cckk.os Diazadiene N 1s C10H20N2 dn-0nnkk.os Dihydropyran C 1s C5H8O dp-0cckk.os Dihydropyran O 1s C5H8O dp-0ookk.os Dimethyl-terephthalate C 1s C10H10O4 dt-0cckk.os Dimethyl-terephthalate O 1s C10H10O4 dt-0ookk.os Ethanol C 1s C2H6O ea-0cckk.os Ethanol O 1s C2H6O ea-0ookk.os Ethylbenzoate C 1s C9H10O2 eb-0cckk.os Ethylbenzoate O 1s C9H10O2 eb-0ookk.os Trichloroethylene C 1s C2Cl3H ec-0cckk.os Trichloroethylene Cl 2p C2Cl3H ec-0cll3.os 1,1,1-trifluoro-ethane C 1s C2F3H3 ef-0cckk.os 1,1,1-trifluoro-ethane F 1s C2F3H3 ef-0ffkk.os ethylene glycol C2H6O2 G-0CCKK.OS ethylene glycol 1s C2H6O2 G-0OOKK.OS Ethylene C 1s C2H4 eh-0cckk.os Ethyl allophanate C4H8N2O3 P-0CCKK.OS Ethyl allophanate N 1s C4H8N2O3 P-0NNKK.OS Ethyl allophanate C4H8N2O3 P-0OOKK.OS Ethane C 1s C2H6 et-0cckk.os Formic acid C 1s CH2O2 fa-0cckk.os Formic acid O 1s CH2O2 fa-0ookk.os 1,3- Hexafluorobutadiene C 1s C4F6 fb-0cckk.os 1,3- Hexafluorobutadiene F 1s C4F6 fb-0ffkk.os per-Fluoro-Cyclobutane C 1s C4F8 fc-0cckk.os per-Fluoro-Cyclobutane F 1s C4F8 fc-0ffkk.os Perflurocyclohexane C 1s C6F12 fd-0cckk.os Perflurocyclohexane F 1s C6F12 fd-0ffkk.os Hexafluoroethane C 1s C2F6 fe-0cckk.os Hexafluoroethane F 1s C2F6 fe-0ffkk.os 1,1 Difluoroethene C 1s C2F2H2 ff-0cckk.os 1,1 Difluoroethene F 1s C2F2H2 ff-0ffkk.os perfluorocyclopentene C 1s C5F8 fg-0cckk.os perfluorocyclopentene F 1s C5F8 fg-0ffkk.os perfluorohexane C 1s C6F14 fh-0cckk.os perfluorohexane F 1s C6F14 fh-0ffkk.os perfluorocyclopentane C 1s C5F10 fi-0cckk.os perfluorocyclopentane F 1s C5F10 fi-0ffkk.os cyclohexadiene-iron-tricarbonyl C 1s C9FeH8O3 fj-0cckk.os cyclohexadiene-iron-tricarbonyl Fe 2p C9FeH8O3 fj-0fel3.os cyclohexadiene-iron-tricarbonyl O 1s C9FeH8O3 fj-0ookk.os Iron nonacarbonyl C 1s C9Fe2O9 fk-0cckk.os Iron nonacarbonyl Fe 2p C9Fe2O9 fk-0fel3.os Iron nonacarbonyl O 1s C9Fe2O9 fk-0ookk.os Formylfluoride C 1s CFHO fl-0cckk.os Formylfluoride F 1s CFHO fl-0ffkk.os Formylfluoride O 1s CFHO fl-0ookk.os Formamide C 1s CH3ON fm-0cckk.os Formamide N 1s CH3ON fm-0nnkk.os Formamide O 1s CH3ON fm-0ookk.os Perfluorobutane C 1s C4F10 fn-0cckk.os Perfluorobutane F 1s C4F10 fn-0ffkk.os Perfluoroeneopentane C 1s C5F12 fo-0cckk.os Perfluoroeneopentane F 1s C5F12 fo-0ffkk.os perfluoropropane C 1s C3F8 fp-0cckk.os Perfluoropropane F 1s C3F8 fp-0ffkk.os Cyclooctatetraeneiron tricarbonyl C 1s C11FeH8O3 fq-0cckk.os Cyclooctatetraeneiron tricarbonyl Fe 2p C11FeH8O3 fq-0llkk.os cyclooctatetraene-iron-tricarbonyl O 1s C11FeH8O3 fq-0ookk.os Perfluorocyclopropane C 1s C3F6 fr-0cckk.os Perfluorocyclopropane F 1s C3F6 fr-0ffkk.os butadiene-iron-tricarbonyl C 1s C7FeH6O3 fs-0cckk.os butadiene-iron-tricarbonyl Fe 2p C7FeH6O3 fs-0fell.os butadiene-iron-tricarbonyl O 1s C7FeH6O3 fs-0ookk.os perfluoro-2-butene C 1s C4F8 ft-0cckk.os perfluoro-2-butene F 1s C4F8 ft-0ffkk.os Vinylferrocene C 1s C12FeH12 fu-0cckk.os Vinylferrocene Fe 2p C12H12Fe fu-0llkk.os Perfluoro-n-pentane C 1s C5F12 fv-0cckk.os Perfluoro-n-pentane F 1s C5F12 fv-0ffkk.os Iron Pentacarbonyl C 1s C5FeO5 fw-0cckk.os Iron Pentacarbonyl Fe 2p C5FeO5 fw-0fel3.os Iron Pentacarbonyl O 1s C5FeO5 fw-0ookk.os ferrocene C 1s C10FeH10 fx-0cckk.os ferrocene Fe 2p C10FeH10 fx-0fel3.os Perfluoro-2-butyne (Matheson) C 1s C4F6 fy-0cckk.os Perfluoro-2-butyne (Matheson) F 1s C4F6 fy-0ffkk.os Chloro-FRED C 1s C10ClCo3O9 gf-0cckk.os Chloro-FRED Cl 2p C10ClCo3O9 gf-0cll3.os Chloro-FRED Co 2p C10ClCo3O9 gf-0col3.os Chloro-FRED O 1s C10ClCo3O9 gf-0ookk.os glycl-glycine C1s C6H10N2O2 G-0CCKK.OS glycl-glycine N1s C6H10N2O2 G-0NNKK.OS glycl-glycine O1s C6H10N2O2 G-0OOKK.OS glycine C1s C2H5O2N L-0CCKK.OS glycine N1s C2H5O2N L-0NNKK.OS glycine O1s C2H5O2N L-0OOKK.OS dimethyl carbonate O 1s C3H6O3 gm-0ookk.os diphenyl carbonate C 1s C13H10O3 gp-0cckk.os saturated Germylene C 1s C10N2H22Ge gs-0cckk.os saturated Germylene Ge 3p C10N2H22Ge gs-0ge3p.os saturated Germylene N 1s C10N2H22Ge gs-0nnkk.os Cyclopentadiene vanadium tetracarbonylC 1s C9H5O4V gt-0cckk.os Cyclopentadiene vanadium tetracarbonylO 1s C9H5O4V gt-0ookk.os Cyclopentadiene vanadium tetracarbonylV 2p C9H5O4V gt-0vvll.os unsaturated Germylene C 1s C10N2H20Ge gu-0cckk.os unsaturated Germylene Ge 3p C10N2H20Ge gu-0ge3p.os unsaturated Germylene N 1s C10N2H20Ge gu-0nnkk.os Perfluoroacetone C 1s C3F6O ha-0cckk.os Perfluoroacetone F 1s C3F6O ha-0ffkk.os Perfluoroacetone O 1s C3F6O ha-0ookk.os 1,3-cyclohexadiene C 1s C6H8 hc-0cckk.os 1,4-cyclohexadiene C 1s C6H8 hd-0cckk.os Hexafluorobenzene C 1s C6F6 hf-0cckk.os Hexafluorobenzene F 1s C6F6 hf-0ffkk.os Cyclohexane C 1s C6H10 hg-0cckk.os Hydrazine N 1s H4N2 hn-0nnkk.os Hydrogen peroxide O 1s H2O2 hp-0ookk.os 2,4-hexadyne C 1s C6H6 hv-0cckk.os 1,6-heptadiyne C 1s C7H8 hz-0cckk.os Isobutane C 1s C4H10 ib-0cckk.os isopropyl ether C 1s C6H14O ie-0cckk.os isopropyl ether O 1s C6H14O ie-0ookk.os ethyl carbamate C 1s C3H7NO2 if-0cckk.os ethyl carbamate N 1s C3H7NO2 if-0nnkk.os ethyl carbamate O 1s C3H7NO2 if-0ookk.os N-methyl-N-phenylurethane C 1s C10H13NO2 ig-0cckk.os N-methyl-N-phenylurethane N 1s C10H13NO2 ig-0nnkk.os N-methyl-N-phenylurethane O 1s C10H13NO2 ig-0ookk.os diphenylmethane C 1s C13H12 ih-0cckk.os sec-Butyl-Ethyl-Ether C 1s C5H14O ii-0cckk.os sec-Butyl-Ethyl-Ether O 1s C5H14O ii-0ookk.os N,N-diphenyl urea C 1s C13H12N2O ij-0cckk.os N,N-diphenyl urea N 1s C13H12N2O ij-0nnkk.os N,N-diphenyl urea O 1s C13H12N2O ij-0ookk.os ethyl N-phenyl carbamate C 1s C9H11NO2 ik-0cckk.os ethyl N-phenyl carbamate N 1s C9H11NO2 ik-0nnkk.os ethyl N-phenyl carbamate O 1s C9H11NO2 ik-0ookk.os phenylurea C 1s C7H8N2O il-0cckk.os phenylurea N 1s C7H8N2O il-0nnkk.os phenylurea O 1s C7H8N2O il-0ookk.os benzyl carbamate C 1s C8H9NO im-0cckk.os benzyl carbamate N 1s C8H9NO im-0nnkk.os benzyl carbamate O 1s C8H9NO im-0ookk.os 2,4,6-triphenoxy-1,3,5-triazine C 1s C21H15N3O3 in-0cckk.os 2,4,6-triphenoxy-1,3,5-triazine N 1s C21H15N3O3 in-0nnkk.os 2,4,6-triphenoxy-1,3,5-triazine O 1s C21H15N3O3 in-0ookk.os Isopentane (i.e. 2-methylbutane) C 1s C5H12 ip-0cckk.os Imidazole C 1s C3H4N2 iz-0cckk.os Imidazole N 1s C3H4N2 iz-0nnkk.os TDI bis ethyl urethane C 1s C13H17N2O4 ja-0cckk.os TDI bis ethyl urethane N 1s C13H17N2O4 ja-0nnkk.os TDI bis ethyl urethane O 1s C13H17N2O4 ja-0ookk.os MDI bis ethyl urethane C 1s C19H22N2O4 je-0cckk.os trimethyl isocyanurate C 1s C6H9N3O3 jg-0cckk.os trimethyl isocyanurate N 1s C6H9N3O3 jg-0nnkk.os trimethyl isocyanurate O 1s C6H9N3O3 jg-0ookk.os triphenyl isocyanurate C 1s C21H15N3O3 jh-0cckk.os 1,2 cyclohexanedione C 1s C6H8O2 ka-0cckk.os 1,2 cyclohexanedione O 1s C6H8O2 ka-0ookk.os 1,3-cyclohexanedione C 1s C6H8O2 kb-0cckk.os 1,3-cyclohexanedione O 1s C6H8O2 kb-0ookk.os 1,4 cyclohexanedione C 1s C6H8O2 kc-0cckk.os 1,4 cyclohexanedione O 1s C6H8O2 kc-0ookk.os cyclohexanone C 1s C6H10O kd-0cckk.os cyclohexanone O 1s C6H10O kd-0ookk.os 4-HEXEN-3-ONE C1s C6H10O E-0CCKK.OS 4-HEXEN-3-ONE O1s C6H10O E-0OOKK.OS 2-cyclohexen-1-one C1s C6H80 F-0CCKK.OS 2-cyclohexen-1-one O1s C6H80 F-0OOKK.OS Phenyl Ether C1s C12H10O H-0CCKK.OS Phenylacetylene C1s C8H6 I-0CCKK.OS tetraphenylcyclopentadienone C1s C29H20O J-0CCKK.OS dimethyl pyrocarbonate C 1s C4H6O5 L-0CCKK.OS Dimethyl Pyrocarbonate O1s C4H6O5 L-0OOKK.OS Trifluoromethyl-norbornene C 1s C8F3H9 km-0cckk.os Diacetimide C1s C4H7N02 N-0CCKK.OS Diacetimide N1s C4H7N02 N-0NNKK.OS Diacetimide O1s C4H7N02 N-0OOKK.OS Acetic Anhydride C1s C4H6O3 O-0CCKK.OS Acetic Anhydride O1s C4H6O3 O-0OOKK.OS AcetylAcetone C1s C5H8O2 P-0CCKK.OS AcetylAcetone O1s C5H8O2 P-0OOKK.OS Dimethyl Malonate C1s C5H8O4 Q-0CCKK.OS Dimethyl Malonate O1s C5H8O4 Q-0OOKK.OS Malonamide C1s C3H6N2O2 R-0CCKK.OS Malonamide N1s C3H6N2O2 R-0NNKK.OS Malonamide O1s C3H6N2O2 R-0OOKK.OS Anthracene C1s C14H10 T-0CCKK.OS Pyrene C1s C16H10 U-0CCKK.OS Triphenylene C1s C18H12 V-0CCKK.OS Phenanthrene C1s C14H10 W-0CCKK.OS 1,2-Benzanthracene C1s C18H12 X-0CCKK.OS Toluene ethyl urea C1s C16H19N4O2 Y-0CCKK.OS lactic acid C1s C3H6O3 A-0CCKK.OS lactic acid 01s C3H6O3 A-0OOKK.OS Manganese carbonylbromide C 1s BrC5MnO5 mb-0cckk.os Manganese carbonylbromide Mn 2p BrC5MnO5 mb-0mnll.os Manganese carbonylbromide O 1s BrC5MnO5 mb-0ookk.os Manganese carbonylhydride C 1s C5HMnO5 mc-0cckk.os Manganese carbonylhydride O 1s C5HMnO5 mc-0ookk.os Manganese carbonyl C 1s C10Mn2O10 md-0cckk.os Manganese carbonyl Mn 2p C10Mn2O10 md-0mnl3.os Manganese carbonyl O 1s C10Mn2O10 md-0ookk.os Methane C 1s CH4 me-0cckk.os Methoxyalkyd.tricobalt nonacarbonyl C 1s C11Co3H3O10 mf-0cckk.os Methoxyalkilyd.tricobalt nonacarbonyl Co 2p C11Co3H3O10 mf-0coll.os Methoxyalkilyd.tricobalt nonacarbonyl O 1s C11Co3H3O10 mf-0ookk.os methylcyclopentadienylmanganese triCO C 1s C9H7MnO3 mg-0cckk.os methylcyclopentadienylmanganese triCO Mn 2p C9H7MnO3 mg-0mnl3.os methylcyclopentadienylmanganese triCO O 1s C9H7MnO3 mg-0ookk.os Trifluoromethylhypofluorite C 1s CF4O mh-0cckk.os Trifluoromethylhypofluorite F 1s CF4O mh-0ffkk.os Trifluoromethylhypofluorite O 1s CF4O mh-0ookk.os Methyl isocyanide C 1s C2H3N mi-0cckk.os Methyl isocyanide N 1s C2H3N mi-0nnkk.os methanol C 1s CH4O ml-0cckk.os methanol O 1s CH4O ml-0ookk.os Methyl mercaptan C 1s CH4S mm-0cckk.os Methyl mercaptan S 2p,2s CH4S mm-0ssll.os Methyl Norbornene C 1s C8H12 mn-0cckk.os Bis(cyclopentyl)magnesium C 1s C10H10Mg mp-0cckk.os methyl formate C 1s C2H4O2 mr-0cckk.os methyl formate O 1s C2H4O2 mr-0ookk.os Tetrafluoromethane (or Freon-114) C 1s CF4 mt-0cckk.os Tetrafluoromethane (or Freon-114) F 1s CF4 mt-0ffkk.os Bis(cyclopentadienyl)manganese C 1s C10H10Mn mx-0cckk.os Methy fluoride C 1s CFH3 my-0cckk.os Methy fluoride F 1s CFH3 my-0ffkk.os Naphthalene C 1s C10H8 na-0cckk.os Naphthalene C 1s C10H8 NA-1CCKK.OS Norbornene C 1s C7H10 nb-0cckk.os Bis(1,2-dicarbollyl)nickel(IV) B 1s B18C4H22Ni nd-0bbkk.os Bis(1,2-dicarbollyl)nickel(IV) C 1s B18C4H22Ni nd-0cckk.os Neon Ne 1s Ne ne-0nekk.os Octafluoronaphthalene(i.e.Perfluoro-) C 1s C10F8 nf-0cckk.os Octafluoronaphthalene(i.e.Perfluoro-) F 1s C10F8 nf-0ffkk.os ortho nitro aniline C 1s C6H6N2O2 ng-0cckk.os ortho nitro aniline N 1s C6H6N2O2 ng-0nnkk.os ortho nitro aniline O 1s C6H6N2O2 ng-0ookk.os n-Hexane C 1s C6H14 nh-0cckk.os Nickelocene C 1s C10NiH10 ni-0cckk.os nitro benzene C 1s C6H5NO2 nj-0cckk.os nitro benzene N 1s C6H5NO2 nj-0nnkk.os nitro benzene O 1s C6H5NO2 nj-0ookk.os meta nitroaniline C 1s C6H6N2O2 nk-0cckk.os meta nitroaniline N 1s C6H6N2O2 nk-0nnkk.os meta nitroaniline O 1s C6H6N2O2 nk-0ookk.os Trifluoronitrosomethane C 1s CF3NO nm-0cckk.os Trifluoronitrosomethane F 1s CF3NO nm-0ffkk.os Trifluoronitrosomethane N 1s CF3NO nm-0nnkk.os Trifluoronitrosomethane O 1s CF3NO nm-0ookk.os Nitrogen N 1s N2 nn-0nnkk.os Nitric Oxide N 1s NO no-0nnkk.os n-pentane C 1s C5H12 np-0cckk.os para nitroaniline C 1s C6H6N2O2 nq-0cckk.os para nitroaniline N 1s C6H6N2O2 nq-0nnkk.os para nitroaniline O 1s C6H6N2O2 nq-0ookk.os n-propane C 1s C3H8 nr-0cckk.os Trifluoroacetonitrile C 1s C2F3N nt-0cckk.os Trifluoroacetonitrile F 1s C2F3N nt-0ffkk.os Trifluoroacetonitrile N 1s C2F3N nt-0nnkk.os monofluorobenzene C 1s C6FH5 ob-0cckk.os monofluorobenzene F 1s C6FH5 ob-0ffkk.os Cyclooctatetraene C 1s C8H8 oc-0cckk.os Oxygen Difluoride F 1s F2O of-0ffkk.os Oxygen Difluoride O 1s F2O of-0ookk.os tetraaminoethylene tetramethyl 1s C10N4H20 L-0CCKK.OS tetraaminoethylene tetramethyl 1s C10N4H20 L-ONNKK.OS Oxygen O 1s O2 ox-0ookk.os Tetrahydropyran C 1s C5H10O pa-0cckk.os Tetrahydropyran O 1s C5H10O pa-0ookk.os Di-t-butylphosphorus chloride C 1s ClC8H18P pb-0cckk.os Di-t-butylphosphorus chloride P 2p ClC8H18P pb-0ppmm.os Di-t-butylphosphorus chloride Cl 2p ClC8H18P pb-0xxmm.os propene C 1s C3H6 pc-0cckk.os Cyclopentadiene (cp) C 1s C5H6 pd-0cckk.os Pentafluorobenzene C 1s C6F5H pf-0cckk.os Pentafluorobenzene F 1s C6F5H pf-0ffkk.os Propargyl alcohol C 1s C3H4O pg-0cckk.os Propargyl alcohol O 1s C3H4O pg-0ookk.os Phosgene C 1s CCl2O ph-0cckk.os Phosgene O 1s CCl2O ph-0ookk.os Piperdine C 1s C5H11N pi-0cckk.os Piperdine N 1s C5H11N pi-0nnkk.os Polyglycol P-390 C 1s pj-0cckk.os Polyglycol P-390 O 1s pj-0ookk.os 1,2-propanediol C 1s C3H8O2 pk-0cckk.os 1,2-propanediol O 1s C3H8O2 pk-0ookk.os n-Propanol C 1s C3H8O pl-0cckk.os n-Propanol O 1s C3H8O pl-0ookk.os propionic acid C 1s C2H6O2 pn-0cckk.os propionic acid O 1s C2H6O2 pn-0ookk.os Pyrrole C 1s C4H5N po-0cckk.os Pyrrole N 1s C4H5N po-0nnkk.os Propiolic acid C 1s C3H2O2 pp-0cckk.os Propiolic acid O 1s C3H2O2 pp-0ookk.os Pyrrolidine C 1s C4H9N pq-0cckk.os Pyrrolidine N 1s C4H9N pq-0nnkk.os Propyne C 1s C3H4 pr-0cckk.os Cyclopentane C 1s C5H10 pu-0cckk.os Cyclopentene C 1s C5H8 pv-0cckk.os Bis(trifluoromethyl) peroxide C 1s C2F6O2 px-0cckk.os Bis(trifluoromethyl) peroxide F 1s C2F6O2 px-0ffkk.os Bis(trifluoromethyl) peroxide O 1s C2F6O2 px-0ookk.os Pyridine C 1s C5H5N py-0cckk.os Pyridine N 1s C5H5N py-0nnkk.os N-Hexylpyruvamide C1s Z-0CCKK.OS Benzoquinone, 1,4- C 1s C6H4O2 qb-0cckk.os Benzoquinone, 1,4- O 1s C6H4O2 qb-0ookk.os terephthaloyl chloride C 1s C8Cl2H4O2 qc-0cckk.os terephthaloyl chloride O 1s C8Cl2H4O2 qc-0ookk.os Hydroquinone C 1s C6H6O2 qh-0cckk.os Hydroquinone O 1s C6H6O2 qh-0ookk.os Phenol C 1s C6H6O qm-0cckk.os Phenol O 1s C6H6O qm-0ookk.os Cyclopentyl-rhenium-carbonyl-nitrogen C 1s C12H15N2O2Rern-0cckk.os Cyclopentyl-rhenium-carbonyl-nitrogen N 1s C12H15N2O2Rern-0nnkk.os Cyclopentyl-rhenium-carbonyl-nitrogen O 1s C12H15N2O2Rern-0ookk.os 3-Bu-thiophene C 1s C8H13S sb-0cckk.os 3-Bu-thiophene S 2p C8H13S sb-0ssl3.os hexachlorodisilane Cl 2p Cl6Si2 sc-0cll3.os hexachlorodisilane Si 2p Cl6Si2 sc-0sil3.os 3-decyl-thiophene C 1s C14H25S sd-0cckk.os Selenophene C 1s C4H4Se se-0cckk.os Selenophene Se 3d,3p C4H4Se se-0sem5.os Sulfurhexafluoride F 1s F6S sf-0ffkk.os Sulfurhexafluoride S 2s F6S sf-0ss2s.os Sulfurhexafluoride S 2s F6S sf-0ssl1.os Sulfurhexafluoride S 2p F6S sf-0ssl3.os Silicon tetrachloride Cl 2p Cl4Si sg-0cll3.os Silicon tetrachloride Si 2p Cl4Si sg-0sil3.os 3-Hx-thiophene C 1s C10H17S sh-0cckk.os 3-Hx-thiophene S 2p C10H17S sh-0ssl3.os hexamethyldisilane C 1s C6H18Si2 si-0cckk.os hexamethyldisilane Si 2p C6H18Si2 si-0sil3.os tetrakisttrimethylsilyl-silane C 1s C12H36Si5 sj-0cckk.os tetrakisttrimethylsilyl-silane Si 2p C12H36Si5 sj-0sil3.os sulfurtetrafluoride F 1s SF4 sk-0ffkk.os sulfurtetrafluoride S 2p SF4 sk-0ssl3.os 3-Me-selenophene C 1s C5H7Se sm-0cckk.os Carbonyl sulfide C 1s COS so-0cckk.os Carbonyl sulfide O 1s COS so-0ookk.os Carbonyl sulfide S 2p COS so-0ssl3.os hexamethyl disiloxane C 1s C6H18OSi2 ss-0cckk.os hexamethyl disiloxane O 1s C6H18OSi2 ss-0ookk.os hexamethyl disiloxane Si 2p C6H18OSi2 ss-0sill.os 3-Et-thiophene C 1s C6H9S st-0cckk.os 3-Et-thiophene S 2p C6H9S st-0ssl3.os 3-octyl-thiophene C 1s C12H21S sx-0cckk.os 3-octyl-thiophene S 2p C12H21S sx-0ssl3.os tetra-cyclo-dimethylsiloxyl C 1s C8H24O4Si4 sy-0cckk.os tetra-cyclo-dimethylsiloxyl O 1s C8H24O4Si4 sy-0ookk.os tetra-cyclo-dimethylsiloxyl Si 2p C8H24O4Si4 sy-0sill.os Thiophene(atl.code-`C4H4S',`THI') C 1s C4H4S ta-0cckk.os Thiophene(atl.code-`C4H4S',`THI') S 1s C4H4S ta-0ssl3.os Tetrafluorobenzene C 1s C6F4H2 tb-0cckk.os Tetrafluorobenzene F 1s C6F4H2 tb-0ffkk.os Methylthiocyanide C 1s C2H3NS tc-0cckk.os Methylthiocyanide N 1s C2H3NS tc-0nnkk.os Methylthiocyanide S 2p C2H3NS tc-0ssl3.os Cyclopentadienyltitanium trichloride C 1s C5Cl3H5Ti td-0cckk.os Cyclopentadienyltitanium trichloride Cl 2p C5Cl3H5Ti td-0cll3.os Cyclopentadienyltitanium trichloride Ti 2p C5Cl3H5Ti td-0til3.os Tetrafluoroethene C 1s C2F4 te-0cckk.os Tetrafluoroethene F 1s C2F4 te-0ffkk.os Trifluorobenzene(1,3,5-) C 1s C6F3H3 tf-0cckk.os Trifluorobenzene(1,3,5-) F 1s C6F3H3 tf-0ffkk.os Titanocene dichloride C 1s C10Cl2H10Ti tg-0cckk.os Titanocene dichloride Cl 2p C10Cl2H10Ti tg-0cll3.os Titanocene dichloride Ti 2p C10Cl2H10Ti tg-0til3.os Methyl-thio-isocyanide C 1s C2H3NS ti-0cckk.os Methyl-thio-isocyanide N 1s C2H3NS ti-0nnkk.os Titanium tetrachloride Cl 2p Cl4Ti tj-0cll3.os Titanium tetrachloride Ti 2p Cl4Ti tj-0til3.os Tetrahydrofuran C 1s C4H8O tk-0cckk.os Tetrahydrofuran O 1s C4H8O tk-0ookk.os t-Butyl alcohol C 1s C4H10O tl-0cckk.os t-Butyl alcohol O 1s C4H10O tl-0ookk.os trimer of imidazole C 1s C15N12 tm-0cckk.os Tetrafluorohyrazene F 1s F4N2 tn-0ffkk.os Tetrafluorohyrazene N 1s F4N2 tn-0nnkk.os 1-Trimethyl silyl-1,4-pentadyne C 1s C8H12Si tp-0cckk.os 1-Trimethyl silyl-1,4-pentadyne Si 2p,2s C8H12Si tp-0sill.os Terephthaldicarboxaldehyde C 1s C8H6O2 tq-0cckk.os Terephthaldicarboxaldehyde O 1s C8H6O2 tq-0ookk.os Trifluoroethylene C 1s C2F3H tr-0cckk.os Trifluoroethylene F 1s C2F3H tr-0ffkk.os Trifluoromethane C 1s CF3H ty-0cckk.os Trifluoromethane F 1s CF3H ty-0ffkk.os s-triazine C 1s C3H3N3 tz-0cckk.os s-triazine N 1s C3H3N3 tz-0nnkk.os trimethylmethoxy silane C 1s C4H12OSi ua-0cckk.os trimethylmethoxy silane O 1s C4H12OSi ua-0ookk.os trimethylmethoxy silane Si 2p C4H12OSi ua-0sill.os triethylsilanol C 1s C6H16OSi uc-0cckk.os tri-cyclo-dimethylsiloxyl C 1s C6H18O3Si3 ud-0cckk.os tri-cyclo-dimethylsiloxyl O 1s C6H18O3Si3 ud-0ookk.os tri-cyclo-dimethylsiloxyl Si 2p C6H18O3Si3 ud-0sill.os tetrakis(dimethylamino)silane C 1s C8H24N4Si ue-0cckk.os tetrakis(dimethylamino)silane N 1s C8H24N4Si ue-0nnkk.os tetrakis(dimethylamino)silane Si 2p C8H24N4Si ue-0sill.os tris(trimethyl silyl)amine C 1s C9H27NSi3 uf-0cckk.os tris(trimethyl silyl)amine N 1s C9H27NSi3 uf-0nnkk.os tris(trimethyl silyl)amine Si 2p C9H27NSi3 uf-0sill.os dimethylamino trimethylsilane C 1s C5H15NSi ug-0cckk.os dimethylamino trimethylsilane N 1s C5H15NSi ug-0nnkk.os dimethylamino trimethylsilane Si 2p C5H15NSi ug-0sill.os silyl triflate C 1s C4F3H9O3SSi uh-0cckk.os silyl triflate Si 2p C4F3H9O3SSi uh-0sill.os tetramethylsilane C 1s C4H12Si ui-0cckk.os tetramethylsilane Si 2p C4H12Si ui-0sill.os bis(dimethylamino)dimethylsilane C 1s C6H16N2Si uj-0cckk.os bis(dimethylamino)dimethylsilane N 1s C6H16N2Si uj-0nnkk.os bis(dimethylamino)dimethylsilane Si 2p C6H16N2Si uj-0sill.os tris(dimethylamino)methyl silane C 1s C7H18N3Si uk-0cckk.os tris(dimethylamino)methyl silane N 1s C7H18N3Si uk-0nnkk.os tris(dimethylamino)methyl silane Si 2p C7H18N3Si uk-0sill.os paracarborane B 1s B10C2H12 ul-0bbkk.os paracarborane C 1s B10C2H12 ul-0cckk.os dimethyl phthalate C 1s C10H10O4 um-0cckk.os dimethyl phthalate O 1s C10H10O4 um-0ookk.os dimethyl isophthalate C 1s C10H10O4 un-0cckk.os dimethyl isophthalate O 1s C10H10O4 un-0ookk.os silylene C 1s C10H20N2Si uo-0cckk.os silylene N 1s C10H20N2Si uo-0nnkk.os silylene Si 2p C10H20N2Si uo-0sill.os TDI bis methyl urethane C 1s C11H13N2O4 up-0cckk.os TDI bis methyl urethane N 1s C11H13N2O4 up-0nnkk.os TDI bis methyl urethane O 1s C11H13N2O4 up-0ookk.os unsaturated SiH2 silylene C 1s C10H22N2Si uq-0cckk.os unsaturated SiH2 silylene N 1s C10H22N2Si uq-0nnkk.os unsaturated SiH2 silylene Si 2p C10H22N2Si uq-0sill.os Urea C 1s CH4N2O ur-0cckk.os Urea N 1s CH4N2O ur-0nnkk.os Urea O 1s CH4N2O ur-0ookk.os saturated SiH2 silylene C 1s C10H24N2Si us-0cckk.os saturated SiH2 silylene N 1s C10H24N2Si us-0nnkk.os saturated SiH2 silylene Si 2p C10H24N2Si us-0sill.os saturated silylene C 1s C10H22N2Si ut-0cckk.os saturated silylene N 1s C10H22N2Si ut-0nnkk.os saturated silylene Si 2p C10H22N2Si ut-0sill.os 1-azido adamantane C 1s C9H15N3 uu-0cckk.os 1-azido adamantane N 1s C9H15N3 uu-0nnkk.os azido trimethylsilane C 1s C3H9N3Si uw-0cckk.os azido trimethylsilane N 1s C3H9N3Si uw-0nnkk.os trimethylsilyloxy-N=CMe2 C 1s C6H18NOSi ux-0cckk.os trimethylsilyloxy-N=CMe2 O 1s C6H18NOSi ux-0ookk.os trimethylsilyloxy-N=CMe2 Si 2p C6H18NOSi ux-0sill.os tolylene 2,4 diisocyanate C 1s C9H6N2O2 uy-0cckk.os tolylene 2,4 diisocyanate N 1s C9H6N2O2 uy-0nnkk.os tolylene 2,4 diisocyanate O 1s C9H6N2O2 uy-0ookk.os n-methyl aniline C 1s C7H9N uz-0cckk.os n-methyl aniline N 1s C7H9N uz-0nnkk.os DABCO: 1,4diazabicyclo[2,2,2]octane C 1s C6H12N2 va-0cckk.os DABCO: 1,4diazabicyclo[2,2,2]octane N 1s C6H12N2 va-0nnkk.os tolylene 2,6 diisocyanate C 1s C9H6N2O2 vb-0cckk.os tolylene 2,6 diisocyanate N 1s C9H6N2O2 vb-0nnkk.os tolylene 2,6 diisocyanate O 1s C9H6N2O2 vb-0ookk.os dimethyltetrafluorobenzeocyclobutane C 1s C10F4H8 ve-0cckk.os Vinylfluoride C 1s C2FH3 vf-0cckk.os Vinylfluoride F 1s C2FH3 vf-0ffkk.os 1,2,3,4 tetrahydro-1-naphthyl-amine C 1s C10H12N vg-0cckk.os 1,2,3,4 tetrahydro-1-naphthyl-amine N 1s C10H12N vg-0nnkk.os o-xylene C 1s C8H10 vh-0cckk.os m-xylene C 1s C8H10 vi-0cckk.os p-xylene C 1s C8H10 vj-0cckk.os Benzoic Anhydride C 1s C14H10O3 vk-0cckk.os anisole C 1s C7H8O vl-0cckk.os anisole O 1s C7H8O vl-0ookk.os Carbene saturated H2(methyl) N 1s C5H12N2 vm-0nnkk.os Vinyl benzoate C 1s C9H8O2 vn-0cckk.os Vinyl benzoate O 1s C9H8O2 vn-0ookk.os trimethylethoxysilane C1s C5H14OSi Q-0CCKK.OS trimethylethoxysilane 01s C5H14OSi Q-0OOKK.OS trimethylethoxysilane Si2p,2s C5H14OSi Q-0SILL.OS vinyltriacetoxysilane C1s C8H12O3Si R-0CCKK.OS vinyltriacetoxysilane O1s C8H12O3Si R-0OOKK.OS vinyltriacetoxysilane Si2p,2s C8H12O3Si R-0SILL.OS vinyltriethoxysilane C1s C8H18O3Si S-0CCKK.OS vinyltriethoxysilane O1s C8H18O3Si S-0OOKK.OS vinyltriethoxysilane Si2p,2s C8H18O3Si S-0SILL.OS butylated-hydroxytoluene C 1s C15H24O vt-0cckk.os butylated-hydroxytoluene O 1s C15H24O vt-0ookk.os Vanadocene dichloride C 1s C10Cl2H10V vv-0cckk.os Carbene saturated #2 C 1s C11H24N2 vw-0cckk.os Carbene saturated #2 N 1s C11H24N2 vw-0nnkk.os Carbene Unsaturated C 1s C11H20N2 vy-0cckk.os Carbene Unsaturated N 1s C11H20N2 vy-0nnkk.os Carbene saturated C 1s C11H20N2 vz-0cckk.os Carbene saturated N 1s C11H20N2 vz-0nnkk.os Water O 1s H2O wa-0ookk.os Dimethyl cyclobutene C 1s C6H10 ya-0cckk.os cis-tetramethylcyclobutene C 1s C8H14 yc-0cckk.os 1,1,1-Trifluoropropyne C 1s C3F3H yf-0cckk.os 1,1,1-Trifluoropropyne F 1s C3F3H yf-0ffkk.os N,N,N-tritolyl isocyanurate C 1s C24H21N3O3 I-0CCKK.OS N,N-di(t-butyl)ethylenediamine C 1s C10H24N2 yl-0cckk.os N,N-di(t-butyl)ethylenediamine N 1s C10H24N2 yl-0nnkk.os trans-tetramethylcyclobutene C 1s C8H14 yt-0cckk.os Phthalocyanine C 1s C32H16N8 zc-0cckk.os iron-phthalocyanine C 1s C32H16N8Fe zf-0cckk.os nickel-phthalocyanine C 1s C32H16NiN8 zn-0cckk.os nickel-phthalocyanine N 1s C32H16NiN8 zn-0nnkk.os zinc-phthalocyanine C 1s C32H16N8Zn zz-0cckk.os