%chk=000010306.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010306

0 1
 S   -3.686500      0.9064000       1.143500    
 N   0.1549000      0.2138000      0.3172000    
 N    3.373500       2.045100      3.6400001E-02
 C    1.124800       1.114300     -0.2589000    
 C    2.368100       1.157800      0.6200000    
 C  -0.9304000      0.7758000       1.123100    
 C   0.2430000      -1.172800      0.1301000    
 C   -2.190800       1.057100      0.3501000    
 C  -0.7029000      -2.024800      0.7107000    
 C    1.276700      -1.717400     -0.6395000    
 C    3.732500       1.596200      -1.308400    
 C    4.560100       2.104200      0.8892000    
 C   -2.299900       1.431100     -0.9547000    
 C  -0.6162000      -3.404300      0.5237000    
 C    1.363400      -3.097000     -0.8264000    
 C   0.4170000      -3.940600     -0.2448000    
 C   -3.663800       1.604100      -1.328800    
 C   -4.523400       1.350900     -0.2827000    
 H    1.302900      0.8400000      -1.302000    
 H   0.7067000       2.129200     -0.3153000    
 H    2.083000       1.534500       1.611400    
 H    2.783800      0.1553000      0.7802000    
 H  -0.5958000       1.746900       1.518400    
 H   -1.108700      0.1931000       2.034900    
 H   -1.537600      -1.676200       1.307800    
 H    2.041900      -1.116700      -1.118400    
 H    2.947700       1.812800      -2.039000    
 H    3.984000      0.5301000      -1.344300    
 H    4.606800       2.150600      -1.672200    
 H    5.289900       2.815100      0.4861000    
 H    5.048100       1.127800      0.9887000    
 H    4.297300       2.462300       1.891000    
 H   -1.466700       1.581900      -1.628300    
 H   -1.354600      -4.061800      0.9736000    
 H    2.167500      -3.515300      -1.425000    
 H   0.4840000      -5.014700     -0.3910000    
 H   -3.997400       1.899600      -2.315100    
 H   -5.602900       1.405500     -0.2878000    


%chk=000010306-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010306

0 1
S -3.216838 2.178534 1.375538
N 0.198741 0.017818 0.299626
N 3.350276 2.159837 -0.034041
C 1.167776 0.941271 -0.317698
C 2.443886 1.140742 0.541945
C -0.785214 0.615643 1.208086
C 0.206115 -1.365542 0.028372
C -2.047284 1.093293 0.507193
C -0.885798 -2.202857 0.418433
C 1.306089 -1.980433 -0.647813
C 4.055169 1.690630 -1.245517
C 4.290452 2.708686 0.965351
C -2.501045 0.813573 -0.771688
C -0.861540 -3.587859 0.158332
C 1.307409 -3.364711 -0.913742
C 0.230750 -4.187580 -0.510165
C -3.763172 1.438734 -1.098369
C -4.286965 2.200115 -0.068888
H 1.425743 0.575027 -1.327519
H 0.688172 1.927975 -0.453744
H 2.129817 1.491937 1.543767
H 2.952975 0.154478 0.692841
H -0.309930 1.473328 1.724997
H -1.040827 -0.112052 2.003351
H -1.772381 -1.769566 0.891872
H 2.173671 -1.384935 -0.947853
H 3.332949 1.403081 -2.028539
H 4.724568 0.813543 -1.049711
H 4.675056 2.509864 -1.650966
H 4.880588 3.524062 0.509387
H 5.007813 1.949416 1.368988
H 3.726108 3.131816 1.815245
H -1.943784 0.172507 -1.458890
H -1.716600 -4.199890 0.468831
H 2.168101 -3.804606 -1.431593
H 0.240561 -5.263094 -0.714281
H -4.260624 1.322352 -2.064419
H -5.210783 2.774765 -0.033219


