%chk=000166383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166383

0 1
 S   0.4803000      -4.088200      7.1599998E-02
 O  -0.9212000       2.506900     -2.7300000E-02
 O   -4.325200      -1.610600      3.0400001E-02
 O   0.1434000      -4.705300      -1.402500    
 O    1.925800      -3.971400      0.1674000    
 O  -0.2761000      -4.834600       1.061800    
 N    1.175400      0.9538000     -7.9999998E-04
 N   -2.421400      -3.363400      5.8100000E-02
 C   -1.164700      0.1497000      8.7000001E-03
 C   0.2157000     -8.4200002E-02  1.3500000E-02
 C   -2.053600     -0.9272000      2.3499999E-02
 C    2.581500      0.9485000      8.9999998E-04
 C    3.285400      0.9627000       1.209700    
 C    3.288500      0.9291000      -1.206000    
 C   -1.562100      -2.238000      4.2700000E-02
 C  -0.1857000      -2.466600      4.7100000E-02
 C   0.7012000      -1.392000      3.2499999E-02
 C   -1.669600       1.537700     -1.2200000E-02
 C   -3.128300       1.770200     -1.6200000E-02
 C   -3.512400     -0.6948000      1.9099999E-02
 C   -4.017300      0.6933000     -1.1000000E-03
 C    2.564000      0.9834000       2.518200    
 C    2.570500      0.9141000      -2.516500    
 C    4.680300      0.9574000       1.211600    
 C    4.683300      0.9238000      -1.204100    
 C    5.379300      0.9379000      4.6999999E-03
 C   -3.619800       3.081000     -3.5200000E-02
 C   -5.397700      0.9272000     -5.2000000E-03
 C    2.290400       2.403100       3.004700    
 C    2.298300       2.320000      -3.042100    
 C    6.870800      0.9320000      6.6000000E-03
 C   -4.996000       3.309600     -3.9099999E-02
 C   -5.883100       2.235000     -2.4400000E-02
 H   0.7965000       1.893900     -1.3100000E-02
 H    1.771700      -1.572700      3.3100002E-02
 H    1.626400      0.4197000       2.474400    
 H    3.164800      0.4614000       3.274600    
 H    3.173200      0.3717000      -3.256900    
 H    1.632800      0.3518000      -2.459500    
 H    5.225300      0.9726000       2.152600    
 H    5.230800      0.9128000      -2.143700    
 H   -2.951100       3.937500     -4.7100000E-02
 H   -6.112200      0.1086000      6.2000002E-03
 H    3.221100       2.967400       3.127300    
 H    1.778800       2.378300       3.972100    
 H    1.655700       2.949600       2.299200    
 H    3.229300       2.880800      -3.177600    
 H    1.789100       2.269000      -4.009700    
 H    1.661700       2.885500      -2.353300    
 H   -2.055300      -4.304300      4.0700000E-02
 H   -3.424000      -3.240900      5.5000000E-02
 H    7.265100      0.3992000     -0.8655000    
 H    7.250400       1.958400     -8.0000004E-03
 H    7.263000      0.4252000      0.8949000    
 H   -5.376700       4.326800     -5.3800002E-02
 H   -6.954100       2.415800     -2.7500000E-02
 H   0.5494000      -4.228100      -2.163900    


%chk=000166383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166383

0 1
S 0.640650 -4.074442 0.453555
O -0.889508 2.583204 -0.429957
O -4.383889 -1.633827 0.367907
O 0.504642 -4.483803 -1.351334
O 2.199115 -3.944415 0.852085
O -0.313140 -5.112340 1.268949
N 1.142725 1.041686 -0.158678
N -2.420317 -3.293228 0.595952
C -1.172085 0.212951 -0.021916
C 0.256226 -0.001258 -0.004015
C -2.080381 -0.891532 0.176565
C 2.580574 0.941689 -0.142600
C 3.276344 0.684689 1.076221
C 3.287903 1.162185 -1.360734
C -1.585020 -2.237693 0.371811
C -0.151154 -2.379535 0.327787
C 0.742482 -1.340850 0.151539
C -1.686905 1.573864 -0.236138
C -3.149275 1.795450 -0.231117
C -3.537086 -0.670188 0.184893
C -4.045328 0.708283 -0.024961
C 2.551818 0.550940 2.409783
C 2.555199 1.473908 -2.658300
C 4.689391 0.619553 1.038947
C 4.701455 1.100286 -1.340956
C 5.422975 0.828308 -0.154269
C -3.662562 3.103050 -0.434193
C -5.444726 0.941800 -0.023852
C 2.128664 1.927980 2.988797
C 2.244518 2.986970 -2.827060
C 6.940623 0.779602 -0.155054
C -5.051392 3.325654 -0.431012
C -5.945624 2.241017 -0.225136
H 0.658046 1.952128 -0.345191
H 1.820008 -1.535363 0.119107
H 1.653308 -0.085953 2.316790
H 3.219754 0.044909 3.131455
H 3.174981 1.140438 -3.511605
H 1.607029 0.907159 -2.706238
H 5.229220 0.409121 1.971105
H 5.248612 1.256767 -2.279522
H -2.950037 3.918316 -0.590421
H -6.108854 0.087338 0.135992
H 3.007766 2.581739 3.131747
H 1.629136 1.802156 3.966596
H 1.426649 2.444413 2.310325
H 3.171492 3.586492 -2.780895
H 1.758609 3.175926 -3.801554
H 1.563137 3.352950 -2.038120
H -2.037225 -4.216838 0.827197
H -3.432259 -3.065409 0.591165
H 7.336446 0.495011 -1.145544
H 7.370253 1.768312 0.099101
H 7.323187 0.056727 0.586767
H -5.444863 4.335736 -0.587175
H -7.026586 2.417248 -0.223238
H 0.866878 -5.409185 -1.480752


