| 1 |
S1 |
Sum of E-State of atom type: sLi |
| 2 |
S2 |
Sum of E-State of atom type: ssBe |
| 3 |
S3 |
Sum of E-State of atom type: ssssBe |
| 4 |
S4 |
Sum of E-State of atom type: ssBH |
| 5 |
S5 |
Sum of E-State of atom type: sssB |
| 6 |
S6 |
Sum of E-State of atom type: ssssB |
| 7 |
S7 |
Sum of E-State of atom type: sCH3 |
| 8 |
S8 |
Sum of E-State of atom type: dCH2 |
| 9 |
S9 |
Sum of E-State of atom type: ssCH2 |
| 10 |
S10 |
Sum of E-State of atom type: tCH |
| 11 |
S11 |
Sum of E-State of atom type: dsCH |
| 12 |
S12 |
Sum of E-State of atom type: aaCH |
| 13 |
S13 |
Sum of E-State of atom type: sssCH |
| 14 |
S14 |
Sum of E-State of atom type: ddC |
| 15 |
S15 |
Sum of E-State of atom type: tsC |
| 16 |
S16 |
Sum of E-State of atom type: dssC |
| 17 |
S17 |
Sum of E-State of atom type: aasC |
| 18 |
S18 |
Sum of E-State of atom type: aaaC |
| 19 |
S19 |
Sum of E-State of atom type: ssssC |
| 20 |
S20 |
Sum of E-State of atom type: sNH3 |
| 21 |
S(21) |
Sum of E-State of atom type: sNH2 |
| 22 |
S22 |
Sum of E-State of atom type: ssNH2 |
| 23 |
S23 |
Sum of E-State of atom type: dNH |
| 24 |
S24 |
Sum of E-State of atom type: ssNH |
| 25 |
S25 |
Sum of E-State of atom type: aaNH |
| 26 |
S26 |
Sum of E-State of atom type: tN |
| 27 |
S27 |
Sum of E-State of atom type: sssNH |
| 28 |
S28 |
Sum of E-State of atom type: dsN |
| 29 |
S29 |
Sum of E-State of atom type: aaN |
| 30 |
S30 |
Sum of E-State of atom type: sssN |
| 31 |
S31 |
Sum of E-State of atom type: ddsN |
| 32 |
S32 |
Sum of E-State of atom type: aasN |
| 33 |
S33 |
Sum of E-State of atom type: ssssN |
| 34 |
S34 |
Sum of E-State of atom type: sOH |
| 35 |
S35 |
Sum of E-State of atom type: dO |
| 36 |
S36 |
Sum of E-State of atom type: ssO |
| 37 |
S37 |
Sum of E-State of atom type: aaO |
| 38 |
S38 |
Sum of E-State of atom type: sF |
| 39 |
S39 |
Sum of E-State of atom type: sSiH3 |
| 40 |
S40 |
Sum of E-State of atom type: ssSiH2 |
| 41 |
S41 |
Sum of E-State of atom type: sssSiH |
| 42 |
S42 |
Sum of E-State of atom type: ssssSi |
| 43 |
S43 |
Sum of E-State of atom type: sPH2 |
| 44 |
S44 |
Sum of E-State of atom type: ssPH |
| 45 |
S45 |
Sum of E-State of atom type: sssP |
| 46 |
S46 |
Sum of E-State of atom type: dsssP |
| 47 |
S47 |
Sum of E-State of atom type: sssssP |
| 48 |
S48 |
Sum of E-State of atom type: sSH |
| 49 |
S49 |
Sum of E-State of atom type: dS |
| 50 |
S50 |
Sum of E-State of atom type: ssS |
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