%chk=000069539.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069539

0 1
 S   -1.023100      0.6579000      -1.040200    
 O   -1.268200       2.076200     -0.8538000    
 O   -1.144200      8.1100002E-02  -2.366400    
 N   -1.989900     -0.2422000      6.8400003E-02
 C   -1.779900      -1.710600      0.1379000    
 C   -2.237600      0.3476000       1.408700    
 C   0.6223000      0.3298000     -0.4729000    
 C   -3.052300      -2.428100      0.5555000    
 C   -3.472900       1.232100       1.399600    
 C    1.305900     -0.7565000     -0.9869000    
 C    1.187900       1.166300      0.4714000    
 C    3.190500     -0.1840000      0.4120000    
 C    2.601600      -1.015800     -0.5402000    
 C    2.483700      0.9070000      0.9178000    
 C    4.576200     -0.4606000      0.8893000    
 H   -1.495100      -2.087500     -0.8501000    
 H  -0.9678000      -1.945400      0.8347000    
 H   -2.346300     -0.4167000       2.183600    
 H   -1.373600      0.9419000       1.721500    
 H   -3.345100      -2.207000       1.585400    
 H   -3.887800      -2.151200     -9.6199997E-02
 H   -2.910800      -3.511400      0.4832000    
 H   -3.375600       2.061400      0.6935000    
 H   -4.359100      0.6552000       1.114900    
 H   -3.645200       1.653700       2.394700    
 H   0.8643000      -1.417500      -1.726000    
 H   0.6557000       2.020900      0.8771000    
 H    3.142600      -1.868300     -0.9426000    
 H    2.932700       1.563300       1.658700    
 H    4.798000      -1.532900      0.8591000    
 H    5.301800      6.5399997E-02  0.2610000    
 H    4.708900     -0.1355000       1.926800    


%chk=000069539-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069539

0 1
S -1.109749 0.466324 -1.121577
O -1.453806 2.053653 -1.067535
O -1.194481 -0.395082 -2.501845
N -2.315478 -0.408614 0.086761
C -2.173943 -1.891723 -0.051458
C -2.167027 0.113555 1.483563
C 0.657018 0.270535 -0.454027
C -3.522152 -2.565861 0.272994
C -2.919779 1.435598 1.706994
C 1.382099 -0.877431 -0.815867
C 1.186778 1.289483 0.355442
C 3.277766 -0.012808 0.507541
C 2.698995 -1.009392 -0.323677
C 2.506070 1.133451 0.836127
C 4.707284 -0.150939 0.998393
H -1.912987 -2.098725 -1.105138
H -1.366091 -2.297315 0.599568
H -2.599514 -0.672604 2.132250
H -1.097308 0.203107 1.783484
H -3.839854 -2.377313 1.314428
H -4.306577 -2.184242 -0.401354
H -3.434707 -3.659654 0.136520
H -2.517243 2.236167 1.065528
H -3.987382 1.308809 1.458598
H -2.836229 1.743776 2.766181
H 0.942627 -1.622714 -1.486882
H 0.596051 2.185716 0.572548
H 3.287712 -1.892901 -0.596596
H 2.942992 1.915855 1.467351
H 4.991669 -1.209386 1.129439
H 5.415337 0.291476 0.271131
H 4.859510 0.367798 1.960614


