%chk=000163871.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163871

0 1
 S   -1.103000      0.5892000      -1.814600    
 O   0.3598000      -1.707700     -0.6640000    
 O    2.816100      -2.390000      -1.846700    
 O   -3.540000       2.064100      0.9265000    
 N    2.961400      0.2436000      0.7514000    
 C    3.164600       1.683400      0.6653000    
 C    2.951500     -0.3611000     -0.5738000    
 C    2.749900      -1.877000     -0.5129000    
 C   -3.773900       1.008900     -5.7000001E-03
 C   -3.659200       1.543800      -1.433100    
 C   -2.820000     -0.1129000      0.3224000    
 C    3.176500       2.260700       2.084700    
 C    4.509500       1.946300     -2.0600000E-02
 C    2.026500       2.310100     -0.1488000    
 C   -1.633400     -0.3567000     -0.3907000    
 C    1.412600      -2.284300      0.1019000    
 C   -2.245800       1.997700      -1.760200    
 C  -0.8004000      -1.419600     -1.9999999E-04
 C   -3.130700     -0.9329000       1.424600    
 C   -1.128100      -2.224700       1.090300    
 C   -2.293800      -1.980700       1.804400    
 H    2.176700      4.5800000E-02  -1.229900    
 H    3.903300     -0.2174000      -1.096100    
 H    2.079800      5.3599998E-02   1.225900    
 H    3.568800      -2.336700      5.3399999E-02
 H   -4.803200      0.6590000      0.1432000    
 H   -4.327600       2.406700      -1.545600    
 H   -3.992800      0.7855000      -2.153200    
 H    3.975500       1.816200       2.689700    
 H    3.338300       3.344700       2.070000    
 H    2.226200       2.076700       2.599700    
 H    4.492900       1.772100      -1.101600    
 H    5.315100       1.345300      0.4182000    
 H    4.797100       2.997800      0.1053000    
 H    1.044600       1.990000      0.2181000    
 H    2.055300       3.403100     -5.4600000E-02
 H    2.085600       2.104600      -1.222300    
 H    1.397700      -1.970800       1.152500    
 H    1.310700      -3.375100      5.0900001E-02
 H   -2.227800       2.481900      -2.741800    
 H   -1.880700       2.727100      -1.029600    
 H   -4.039200     -0.7558000       1.996500    
 H  -0.5307000      -3.076700       1.399300    
 H   -2.558000      -2.607900       2.650600    
 H   -4.190700       2.764100      0.7470000    
 H    2.726000      -3.356700      -1.793500    


%chk=000163871-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163871

0 1
S -1.188973 0.896810 -1.349054
O 0.373486 -1.214089 -0.314682
O 2.681705 -2.403525 -1.982737
O -4.349335 1.659075 1.112306
N 2.796602 0.497576 0.338839
C 3.514702 1.809742 0.454002
C 2.966730 -0.283020 -0.908307
C 2.726786 -1.784905 -0.646514
C -4.220270 0.662505 0.010331
C -3.973647 1.379152 -1.330525
C -3.125331 -0.308332 0.429062
C 3.013071 2.456444 1.768476
C 5.039715 1.559137 0.559251
C 3.210280 2.760637 -0.743190
C -1.815529 -0.302479 -0.110848
C 1.465847 -2.058578 0.188526
C -2.631349 2.117803 -1.325413
C -0.875058 -1.287549 0.317928
C -3.459142 -1.275767 1.414664
C -1.216981 -2.236352 1.303440
C -2.519481 -2.222030 1.855880
H 2.277864 0.021524 -1.723696
H 3.997398 -0.170411 -1.284336
H 1.788712 0.642014 0.507313
H 3.574950 -2.198095 -0.055620
H -5.171472 0.092435 -0.064574
H -4.794940 2.103993 -1.505424
H -3.997522 0.647869 -2.161742
H 3.221696 1.790698 2.624729
H 3.509958 3.427567 1.943971
H 1.920997 2.636107 1.728350
H 5.449318 1.114072 -0.365998
H 5.252432 0.872269 1.397387
H 5.574067 2.510979 0.733745
H 2.123294 2.954737 -0.816198
H 3.729682 3.730182 -0.623479
H 3.542122 2.315347 -1.699212
H 1.667306 -1.797569 1.246602
H 1.182619 -3.130457 0.121518
H -2.487419 2.727222 -2.232123
H -2.540551 2.749721 -0.426397
H -4.469080 -1.260081 1.839219
H -0.486205 -2.975637 1.643000
H -2.791050 -2.953761 2.623664
H -5.171457 2.192532 0.950033
H 2.626451 -3.388211 -1.889866


