%chk=000158957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158957

0 1
 S    1.558500       1.638300     -0.8699000    
 S   -1.370400       1.790300     -0.2403000    
 P    3.183600      0.3213000     -0.6507000    
 P   -2.876400      0.6350000      0.6601000    
 O    4.588300       1.139300     -0.6811000    
 O    3.172400     -0.3129000      0.8462000    
 O   -3.467700     -0.4136000     -0.4334000    
 O   -4.170200       1.555200       1.010500    
 O   3.3300001E-02  -1.552400     -4.6999999E-03
 O    3.139800     -0.7398000      -1.720000    
 O   -2.342000     -6.2700003E-02   1.884100    
 O  -0.3696000     -0.5960000      -2.063100    
 C   0.1363000      0.7915000     -0.1333000    
 C  -9.4999999E-02 -0.5046000     -0.8727000    
 C    4.822300       2.181600      0.2503000    
 C    3.932900      -1.482000       1.098000    
 C   -4.212000      -1.529500      2.4499999E-02
 C   -4.814900       2.292000     -1.4400000E-02
 C  -0.1778000      -2.850500     -0.5687000    
 C    6.195500       2.767500     -9.9999997E-05
 C    3.764100      -1.876900       2.549500    
 C   -4.652100      -2.351700      -1.167900    
 C   -5.978500       3.053900      0.5832000    
 C  -6.9999998E-04  -3.893400      0.5142000    
 H   0.3548000      0.6006000      0.9214000    
 H    4.063000       2.959500      0.1328000    
 H    4.764500       1.781800       1.267100    
 H    3.581000      -2.289600      0.4486000    
 H    4.986000      -1.281900      0.8771000    
 H   -3.584700      -2.136700      0.6846000    
 H   -5.082000      -1.176800      0.5868000    
 H   -4.108300       2.994000     -0.4655000    
 H   -5.173100       1.605100     -0.7871000    
 H   -1.192200      -2.910000     -0.9780000    
 H   0.5493000      -3.022200      -1.370200    
 H    6.967400       1.997500      0.1013000    
 H    6.267800       3.158200      -1.020500    
 H    6.409400       3.576700      0.7037000    
 H    4.095300      -1.068700       3.209700    
 H    2.709200      -2.062200       2.777700    
 H    4.338800      -2.778600       2.778700    
 H   -5.267700      -1.749700      -1.844400    
 H   -3.784800      -2.690400      -1.744200    
 H   -5.227800      -3.225200     -0.8494000    
 H   -6.690300       2.365600       1.050900    
 H   -5.631600       3.734500       1.367800    
 H   -6.500200       3.634600     -0.1826000    
 H    1.003500      -3.832100      0.9470000    
 H  -0.7098000      -3.723600       1.331100    
 H  -0.1538000      -4.900500      0.1165000    


%chk=000158957-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158957

0 1
S 1.501632 0.327978 -1.984242
S -1.394405 0.815817 -1.204603
P 3.273344 -0.293297 -0.560192
P -2.484018 0.206415 0.779364
O 4.276485 1.107192 -0.641235
O 2.500057 -0.152135 0.985930
O -4.069425 -0.235376 0.265047
O -2.846872 1.647697 1.634891
O 0.874603 -2.532649 -0.754065
O 4.085101 -1.624025 -0.851854
O -1.620265 -0.826737 1.624979
O -1.196797 -2.260797 -1.790737
C 0.081688 -0.314213 -0.896230
C -0.197740 -1.784316 -1.211687
C 3.748484 2.432792 -0.186036
C 2.545499 -1.305557 1.953316
C -4.253209 -1.475919 -0.565103
C -3.596232 2.747766 0.947338
C 0.897495 -3.986892 -1.128643
C 4.868927 3.434351 -0.445134
C 1.547586 -0.973769 3.057038
C -5.674608 -1.407370 -1.110469
C -3.739424 3.859856 1.980418
C 2.180092 -4.571969 -0.548499
H 0.406859 -0.209161 0.152381
H 2.835000 2.669832 -0.764227
H 3.489821 2.358722 0.885702
H 2.274473 -2.226046 1.408946
H 3.581872 -1.389067 2.328566
H -3.492295 -1.492435 -1.366951
H -4.103546 -2.349038 0.095283
H -3.009395 3.078357 0.067219
H -4.573508 2.354650 0.615079
H -0.018974 -4.455773 -0.728319
H 0.870282 -4.040928 -2.231822
H 5.776673 3.160106 0.118041
H 5.120367 3.472382 -1.518279
H 4.546689 4.442102 -0.122914
H 1.805901 -0.019634 3.547839
H 0.517705 -0.909547 2.665102
H 1.576803 -1.773183 3.821851
H -6.410186 -1.356274 -0.289746
H -5.805627 -0.525505 -1.760223
H -5.881703 -2.314126 -1.708625
H -4.300773 3.502417 2.859670
H -2.749798 4.213329 2.314737
H -4.286985 4.711662 1.536092
H 3.053726 -3.979910 -0.869903
H 2.150416 -4.584927 0.555214
H 2.301605 -5.613047 -0.899105


