%chk=000066384.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066384

0 1
 S    4.415500      -3.574800      0.5934000    
 O  -0.2185000     -0.3496000      0.3217000    
 O   0.7707000     -0.5099000      -1.750200    
 N   -3.906800     -0.4279000      0.2274000    
 C    2.865500       1.048500     -0.1225000    
 C    4.121500       1.244000      0.7372000    
 C    1.916800       2.247000      1.5900001E-02
 C    2.152600     -0.2497000      0.2512000    
 C    4.823000       2.562400      0.4190000    
 C    2.622000       3.563700     -0.3012000    
 C    3.874800       3.750300      0.5490000    
 C    3.044600      -1.461400      8.9100003E-02
 C   0.8528000     -0.4000000     -0.5335000    
 C   -4.274200      0.8783000     -0.3359000    
 C   -4.847200     -0.9309000       1.236200    
 C   -5.399400      0.7632000      -1.363800    
 C   -6.282700      -1.152100      0.7496000    
 C   -6.815600      0.8202000     -0.8016000    
 C   -7.050700      0.1472000      0.5442000    
 C   -2.560500     -0.3623000      0.8074000    
 C   -1.502600     -0.4338000     -0.2822000    
 C    3.615700      -1.867400      -1.151500    
 C    3.398400      -2.302400       1.121300    
 C    4.384400      -3.002700      -1.020300    
 H    3.179600       1.002400      -1.175200    
 H    4.842100      0.4345000      0.5775000    
 H    3.854000       1.228300       1.801600    
 H    1.060500       2.154200     -0.6613000    
 H    1.514600       2.291200       1.036300    
 H    1.877200     -0.1877000       1.315300    
 H    5.676500       2.697700       1.092900    
 H    5.224300       2.525300     -0.6013000    
 H    2.895000       3.585000      -1.363500    
 H    1.934400       4.400100     -0.1316000    
 H    3.586900       3.873800       1.600300    
 H    4.390900       4.669100      0.2489000    
 H   -4.524200       1.603000      0.4498000    
 H   -3.428700       1.312500     -0.8793000    
 H   -4.490000      -1.911200       1.579200    
 H   -4.853900     -0.2766000       2.118300    
 H   -5.297800       1.578600      -2.092200    
 H   -5.273900     -0.1589000      -1.947000    
 H   -6.300400      -1.770100     -0.1561000    
 H   -6.803500      -1.729100       1.524900    
 H   -7.492400      0.3800000      -1.545300    
 H   -7.121500       1.870500     -0.7118000    
 H   -6.814600      0.8500000       1.353100    
 H   -8.125200     -5.7100002E-02  0.6333000    
 H   -2.379300      -1.213200       1.478500    
 H   -2.424500      0.5319000       1.430500    
 H   -1.594300      0.3851000      -1.001900    
 H   -1.585300      -1.385600     -0.8218000    
 H    3.477700      -1.359600      -2.097500    
 H    3.111800      -2.235200       2.161600    
 H    4.929700      -3.523400      -1.794800    


%chk=000066384-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066384

0 1
S 4.523244 -3.625936 0.474984
O -0.214249 -0.442942 0.423517
O 0.768790 -0.330245 -1.684821
N -3.965349 -0.373021 0.326599
C 2.922826 1.105346 -0.060151
C 4.256905 1.267821 0.710890
C 2.014455 2.341201 0.173945
C 2.188879 -0.220094 0.346217
C 4.977197 2.583658 0.330922
C 2.731205 3.659053 -0.204171
C 4.068277 3.814434 0.557400
C 3.036688 -1.462364 0.097546
C 0.877812 -0.338091 -0.435750
C -4.371618 0.902103 -0.330965
C -4.948049 -0.907265 1.302127
C -5.434322 0.698837 -1.436914
C -6.358346 -1.182494 0.730032
C -6.915070 0.727729 -0.968334
C -7.181442 0.093806 0.422432
C -2.591516 -0.312431 0.886254
C -1.559919 -0.573363 -0.218551
C 3.442818 -1.912586 -1.221446
C 3.529003 -2.272947 1.108757
C 4.235180 -3.044830 -1.201586
H 3.146081 1.040943 -1.146071
H 4.917454 0.402690 0.516302
H 4.044412 1.270774 1.801848
H 1.080333 2.246929 -0.413518
H 1.721436 2.375678 1.244839
H 1.933049 -0.165773 1.420114
H 5.911662 2.681747 0.916921
H 5.273010 2.540650 -0.737864
H 2.931336 3.662653 -1.295623
H 2.067797 4.521369 0.002378
H 3.860288 3.918972 1.642827
H 4.586641 4.739520 0.238558
H -4.726697 1.652844 0.420520
H -3.464778 1.331698 -0.794457
H -4.533741 -1.857795 1.690185
H -5.066230 -0.219540 2.182613
H -5.301102 1.479035 -2.212708
H -5.203390 -0.269114 -1.919473
H -6.273106 -1.822716 -0.169343
H -6.898218 -1.776148 1.494766
H -7.526122 0.205305 -1.731258
H -7.277957 1.775019 -0.948828
H -6.969078 0.836779 1.218781
H -8.263136 -0.132275 0.500740
H -2.482267 -1.094241 1.659215
H -2.364702 0.662260 1.380750
H -1.628515 0.147763 -1.051956
H -1.661159 -1.592702 -0.628678
H 3.123754 -1.414796 -2.140346
H 3.387041 -2.180630 2.184666
H 4.668303 -3.596878 -2.033531


