%chk=000131907.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131907

0 1
 S   -6.854700      -1.484800      -1.064100    
 O    4.212700      -3.442500      0.1649000    
 O   -5.518300       1.506700      0.9454000    
 N   -1.014400      0.8605000      0.3165000    
 N    1.821400       1.066400      4.3200001E-02
 N   -4.534500      0.1836000     -0.6863000    
 C  -0.1269000      0.2838000       1.334000    
 C  -0.3863000      0.7639000      -1.006700    
 C    1.211600       1.024500       1.378300    
 C   0.9444000       1.519600      -1.040700    
 C   -2.309300      0.1807000      0.3208000    
 C    3.201000       1.284800     -4.3000001E-02
 C   -3.251300      0.8314000     -0.6816000    
 C    4.150000      0.2249000     -3.5799999E-02
 C    3.678900       2.609200     -0.1424000    
 C    5.535000      0.5015000     -0.1264000    
 C    3.720800      -1.108700      6.1600000E-02
 C    5.040900       2.881300     -0.2315000    
 C    5.964000       1.835200     -0.2237000    
 C    6.450100     -0.5638000     -0.1171000    
 C    4.644000      -2.154900      6.9300003E-02
 C    6.005900      -1.882900     -1.9900000E-02
 C   -5.578800      0.5809000      0.1407000    
 C   -6.833300     -0.2079000      3.4600001E-02
 C   -7.967000     -1.4900000E-02  0.7254000    
 C    5.210200      -4.462500      0.1679000    
 C   -8.944700     -0.9775000      0.3411000    
 C   -8.471500      -1.838400     -0.6245000    
 H   5.0099999E-02 -0.7820000       1.135300    
 H  -0.5916000      0.3584000       2.324600    
 H  -0.9919000       1.225200      -1.790800    
 H  -0.2220000     -0.2857000      -1.285600    
 H    1.066000       2.048800       1.744700    
 H    1.871700      0.5129000       2.089600    
 H    1.423000       1.345800      -2.012500    
 H   0.7654000       2.598300     -0.9468000    
 H   -2.201600     -0.8892000      9.6400000E-02
 H   -2.757500      0.2492000       1.320400    
 H   -2.906300      0.7380000      -1.713700    
 H   -3.385900       1.896000     -0.4580000    
 H    2.980600       3.443800     -0.1442000    
 H    2.664300      -1.359700      0.1293000    
 H    5.386200       3.908300     -0.3057000    
 H   -4.668700     -0.6054000      -1.312100    
 H    7.023700       2.071300     -0.2940000    
 H    7.519300     -0.3734000     -0.1858000    
 H    6.776400      -2.646300     -1.9500000E-02
 H   -8.128600      0.7552000       1.468500    
 H    5.868000      -4.379900       1.039800    
 H    4.690200      -5.422600      0.2500000    
 H    5.769200      -4.481800     -0.7738000    
 H   -9.944200      -1.035700      0.7520000    
 H   -8.997900      -2.658000      -1.092900    


%chk=000131907-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131907

0 1
S -7.657242 -0.326603 -1.429460
O 4.356053 -3.415466 0.599967
O -5.116100 0.289101 1.720548
N -0.996176 0.640847 -0.081096
N 1.867257 0.920899 -0.374385
N -4.774455 0.643840 -0.555257
C -0.065408 -0.192455 0.719959
C -0.382962 1.000805 -1.381749
C 1.257911 0.557901 0.936804
C 0.942265 1.755621 -1.169339
C -2.352308 0.066526 -0.208678
C 3.255624 1.258248 -0.383525
C -3.418866 1.182888 -0.358149
C 4.236730 0.229607 -0.069849
C 3.705823 2.545935 -0.725649
C 5.638702 0.596129 -0.004441
C 3.871681 -1.135878 0.127531
C 5.094923 2.879087 -0.706615
C 6.046151 1.934499 -0.323342
C 6.593789 -0.413764 0.336958
C 4.836529 -2.101477 0.442796
C 6.215197 -1.737804 0.571990
C -5.544037 0.230147 0.521560
C -6.907306 -0.285626 0.228179
C -7.792234 -0.793014 1.172255
C 5.329338 -4.467714 0.896574
C -9.052114 -1.221997 0.626372
C -9.148598 -1.047517 -0.746430
H 0.152748 -1.170668 0.220718
H -0.532637 -0.401035 1.699584
H -1.076111 1.652130 -1.945894
H -0.183523 0.090542 -2.002916
H 1.054170 1.480571 1.528145
H 1.959572 -0.066193 1.512055
H 1.405736 1.970100 -2.148693
H 0.717506 2.725040 -0.663350
H -2.433063 -0.646308 -1.067499
H -2.590341 -0.498308 0.710052
H -3.178895 1.840508 -1.212638
H -3.412171 1.791543 0.561356
H 2.981329 3.327045 -0.976960
H 2.835685 -1.454654 -0.014094
H 5.401573 3.898042 -0.968131
H -5.127763 0.535392 -1.507473
H 7.110019 2.194565 -0.277502
H 7.651896 -0.133076 0.402243
H 6.973275 -2.483494 0.829022
H -7.517712 -0.843348 2.227969
H 5.840287 -4.288678 1.862954
H 4.738121 -5.393345 0.959871
H 6.083310 -4.563503 0.090708
H -9.859893 -1.644978 1.227919
H -9.975487 -1.279053 -1.415770


