%chk=000160348.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160348

0 1
 S   0.2610000     -0.6970000      -1.727200    
 O    5.322800      -1.160400      0.7076000    
 O    4.761100       3.313700      4.0100001E-02
 O   -4.492800       1.546200     -0.6461000    
 O    2.753900      -3.181000       1.049100    
 O    2.180500      -3.176600      -1.164800    
 N    3.071900     -0.5082000      0.9727000    
 N   -2.901100     -0.4613000      0.6712000    
 N   -8.071500      0.2053000       1.258900    
 C    2.754300      0.9337000       1.022600    
 C    4.298500       1.163200      0.9953000    
 C    1.734500       1.128600     -0.1194000    
 C    4.423700     -0.3722000      0.8950000    
 C    1.456200     -0.2982000     -0.5592000    
 C    2.268300      -1.152400      7.8400001E-02
 C    4.980800       1.911600     -0.1217000    
 C   -1.219600     -6.3900001E-02 -0.8967000    
 C    2.210800       2.045700      -1.233800    
 C   -3.552600     -0.6611000     -0.6348000    
 C   -2.501700     -0.2964000      -1.691000    
 C   -1.482600     -0.7536000      0.4303000    
 C   -4.825600      0.1644000     -0.7572000    
 C    6.481900       1.641900     -0.1331000    
 C    2.385900      -2.594400     -0.1114000    
 C   -5.832600     -0.1974000      0.3406000    
 C   -7.137300      0.5920000      0.2074000    
 C   -9.328600      0.9277000       1.127200    
 H    2.312500       1.200300       1.993600    
 H    4.665300       1.513700       1.972600    
 H   0.8272000       1.560900      0.3201000    
 H    4.636600       1.606500      -1.106100    
 H   -1.111800       1.017000     -0.7431000    
 H    2.901700       1.561600      -1.926300    
 H    2.603600       2.988900     -0.8556000    
 H    1.347900       2.320600      -1.855300    
 H   -3.799700      -1.726000     -0.7428000    
 H   -2.406100      -1.129800      -2.398300    
 H   -2.757000      0.5953000      -2.274300    
 H  -0.8695000     -0.3538000       1.243500    
 H   -1.334600      -1.839600      0.3779000    
 H   -3.284500      -1.098800       1.367200    
 H   -5.269000      1.7000000E-03  -1.747200    
 H    6.926400       1.867000      0.8430000    
 H    6.982300       2.289000     -0.8622000    
 H    6.718200      0.6059000     -0.3879000    
 H    5.198400       3.766700     -0.7008000    
 H   -6.046400      -1.273000      0.3027000    
 H   -5.410100      2.2100000E-02   1.329400    
 H   -7.576600      0.3925000     -0.7774000    
 H   -6.936600       1.667000      0.2773000    
 H   -5.233500       2.060300      -1.008800    
 H    2.842900      -4.153700      0.9579000    
 H   -7.661400      0.4022000       2.171400    
 H   -9.182800       2.009200       1.216700    
 H   -10.01350      0.6144000       1.921200    
 H   -9.813800      0.7093000      0.1703000    


%chk=000160348-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160348

0 1
S 0.209036 -2.295176 -1.186287
O 5.659850 0.160990 -0.471334
O 2.579739 3.429812 0.793392
O -3.295195 0.799754 -0.873943
O 4.710658 -3.174759 -0.322802
O 2.788162 -3.838923 -1.470549
N 3.554482 -0.726678 0.417952
N -3.227300 -1.666584 0.918685
N -7.116579 1.904196 1.074490
C 2.603869 0.293900 0.990033
C 3.775014 1.351868 0.882353
C 1.318878 0.132949 0.104843
C 4.580330 0.220448 0.146639
C 1.499745 -1.321861 -0.404831
C 2.823928 -1.728515 -0.292898
C 3.669060 2.677696 0.124300
C -1.369484 -1.460915 -0.533307
C 1.137299 1.101071 -1.092412
C -3.785171 -1.558084 -0.460246
C -2.581115 -1.875305 -1.395654
C -1.764973 -1.924426 0.886911
C -4.409035 -0.167518 -0.755708
C 5.004209 3.439091 0.165429
C 3.392570 -2.990158 -0.759762
C -5.427266 0.251871 0.320810
C -6.175308 1.559849 -0.004025
C -7.883582 3.144312 0.860048
H 2.348264 0.066637 2.039853
H 4.175435 1.570028 1.889864
H 0.432551 0.222065 0.757221
H 3.391482 2.498945 -0.933525
H -1.254629 -0.370325 -0.578597
H 1.966494 1.007518 -1.815854
H 1.088141 2.138231 -0.719948
H 0.201698 0.874330 -1.632887
H -4.600092 -2.296177 -0.616849
H -2.545913 -2.959688 -1.614704
H -2.619746 -1.318816 -2.345105
H -1.232728 -1.350034 1.669069
H -1.504467 -2.998856 1.013322
H -3.760281 -2.256237 1.562682
H -4.924167 -0.235573 -1.743428
H 5.283613 3.680745 1.207263
H 4.941574 4.382827 -0.410089
H 5.805099 2.820801 -0.278201
H 2.642018 4.381945 0.525010
H -6.180933 -0.550108 0.446188
H -4.879831 0.343963 1.279799
H -6.753987 1.438452 -0.942557
H -5.435636 2.389593 -0.198211
H -3.665823 1.717205 -0.837650
H 5.052416 -4.029656 -0.699717
H -6.660828 1.877320 1.996102
H -7.253375 4.054531 0.702356
H -8.543157 3.328715 1.726105
H -8.528813 3.030014 -0.030937


