%chk=000157845.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157845

0 1
 S   0.9649000      0.5893000       1.712100    
 O    7.867100       2.240400     -0.4333000    
 O    6.037700       2.147900      -1.773200    
 O   -6.433300       2.064000     -0.7228000    
 O    3.879000      0.9380000       2.258000    
 O    7.553800      -3.397900      -1.260700    
 O    7.985500      -2.858500      0.9004000    
 N   -1.455200      0.2772000      0.5590000    
 N    4.593700      0.8399000      7.6800004E-02
 N   -8.160700      -1.362100      0.2596000    
 N   -8.280300      0.9811000      8.4600002E-02
 N    1.961100      0.5344000     -0.6727000    
 N   -6.279500      -2.687500     -0.3327000    
 N   -10.08800     -0.2842000      0.8945000    
 C   -3.829800     -4.0000002E-03  6.8999999E-03
 C   -4.861800     -0.1764000      -1.110700    
 C    5.988100       1.027100      0.3884000    
 C   -2.403600      0.1129000     -0.5262000    
 C    6.716000     -0.2943000      0.6640000    
 C   -6.247200     -0.3008000     -0.5705000    
 C    6.768900      -1.284600     -0.5064000    
 C   -6.869900      -1.454100     -0.2241000    
 C  -0.1166000      0.3989000      0.3948000    
 C    6.602600       1.841800     -0.7312000    
 C   -6.990000       1.013400     -0.4114000    
 C    3.607500      0.8075000       1.063100    
 C    2.227500      0.6419000      0.5851000    
 C   0.5922000      0.3919000     -0.7883000    
 C    7.486500      -2.576600     -0.1802000    
 C   -8.816200     -0.1664000      0.3973000    
 H   -4.067800      0.8904000      0.5978000    
 H   -3.885900     -0.8539000      0.7000000    
 H   -4.789100      0.6567000      -1.820600    
 H   -4.604500      -1.061700      -1.705200    
 H    6.043600       1.651000       1.289600    
 H   -2.339800      0.9716000      -1.205300    
 H   -2.156600     -0.7889000      -1.099300    
 H    7.744900     -7.6200001E-02  0.9788000    
 H    6.239000     -0.7910000       1.519300    
 H    5.750600      -1.543200     -0.8168000    
 H    7.288300     -0.8228000      -1.353300    
 H   -1.838900      0.3009000       1.500300    
 H    4.322600      0.7172000     -0.8953000    
 H   -8.608800      -2.235800      0.5135000    
 H   0.1671000      0.2861000      -1.778100    
 H   -5.326500      -2.783300     -0.6571000    
 H   -6.803000      -3.505900     -4.8999999E-02
 H    8.258500       2.781400      -1.152000    
 H   -10.48290      -1.188300       1.129600    
 H   -10.67220      0.5318000       1.040500    
 H    8.033800      -4.229100      -1.058400    


%chk=000157845-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157845

0 1
S 1.073063 0.803669 1.829486
O 8.122398 1.954187 -0.888836
O 6.243829 1.698160 -2.230548
O -6.447559 1.998976 0.274311
O 4.150179 0.994541 2.189590
O 7.215394 -3.683893 -0.780338
O 7.779021 -2.871081 1.319775
N -1.467339 0.598513 0.689235
N 4.704994 0.934055 -0.084434
N -8.199976 -1.674630 0.032217
N -8.365201 0.671340 0.535543
N 1.939960 0.727189 -0.701584
N -6.304151 -2.728913 -0.889714
N -10.198207 -0.747541 0.897154
C -3.832979 0.103510 0.151443
C -4.890173 -0.022586 -0.979113
C 6.137147 1.090750 0.168302
C -2.442583 0.458361 -0.406017
C 6.821258 -0.221306 0.668311
C -6.280569 -0.287756 -0.443104
C 6.700804 -1.375470 -0.341098
C -6.885681 -1.534223 -0.460084
C -0.116356 0.683350 0.461135
C 6.790268 1.605830 -1.108434
C -7.005187 0.861655 0.149894
C 3.802121 0.919072 0.964157
C 2.392997 0.809678 0.541378
C 0.559463 0.657233 -0.777479
C 7.286317 -2.668051 0.189256
C -8.894348 -0.536964 0.478515
H -4.179147 0.901191 0.835829
H -3.771572 -0.839803 0.728961
H -4.919063 0.941290 -1.522729
H -4.575731 -0.799131 -1.707660
H 6.282226 1.844000 0.967615
H -2.503821 1.397731 -0.996664
H -2.089305 -0.339516 -1.091404
H 7.881307 -0.004999 0.886938
H 6.338060 -0.494603 1.621409
H 5.639452 -1.561928 -0.596515
H 7.204841 -1.147112 -1.300471
H -1.834783 0.764976 1.626100
H 4.354291 0.948579 -1.049429
H -8.533257 -2.609588 0.275792
H 0.077419 0.608233 -1.753041
H -5.316243 -2.724713 -1.127946
H -6.876297 -3.457980 -1.313378
H 8.526979 2.278550 -1.738591
H -10.738011 -1.566529 0.628300
H -10.682992 0.071707 1.257900
H 7.599143 -4.520808 -0.400737


