%chk=000153812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153812

0 1
 S   -6.516000      -2.026700      0.9168000    
 O   -3.412800      0.9913000      -2.529900    
 O    5.309300      0.2581000      0.2727000    
 O   -7.855900      -2.096100       1.469600    
 O   -6.282200      -2.307000     -0.4859000    
 O    7.369700      -3.653400     -0.3210000    
 N  -0.9955000       1.028400      -1.088900    
 N    2.918800       1.329900      0.3790000    
 N    5.282800      -2.007900      0.7643000    
 N   -5.818700     -0.5178000       1.367400    
 C   0.3318000       1.130500     -0.5910000    
 C    1.187500      2.6900001E-02 -0.6669000    
 C   0.7707000       2.333800     -2.9600000E-02
 C    2.490900      0.1732000     -0.1627000    
 C    2.090400       2.389800      0.4496000    
 C    3.347700     -0.9219000     -0.2353000    
 C   0.7729000      -1.194600      -1.225700    
 C   -2.201600      0.6455000     -0.4873000    
 C  -6.7900002E-02   3.458500      5.9700001E-02
 C    2.939000      -2.137200     -0.7902000    
 C    2.533400       3.585200       1.009700    
 C    1.648900      -2.274300      -1.286500    
 C   -3.397800      0.6311000      -1.215200    
 C   -2.217100      0.2702000      0.8615000    
 C    4.712900     -0.8307000      0.2715000    
 C   0.3992000       4.641700      0.6241000    
 C   -4.597500     -0.1250000      0.7410000    
 C    1.702600       4.704800       1.100000    
 C   -4.591200      0.2472000     -0.6033000    
 C   -3.410400     -0.1135000       1.473500    
 C    6.615000      -2.074300       1.320600    
 C    7.649700      -2.383900      0.2544000    
 C   -5.505800      -3.137300       1.871100    
 C   -3.202800     -4.4399999E-02  -3.487000    
 H   -1.075300       1.320000      -2.058600    
 H  -0.2267000      -1.334000      -1.628700    
 H   -1.090900       3.445200     -0.3071000    
 H    3.605600      -2.989000     -0.8891000    
 H    3.550800       3.659500       1.389600    
 H    1.328700      -3.213200      -1.727500    
 H   -1.308700      0.2683000       1.458300    
 H  -0.2500000       5.509300      0.6909000    
 H    2.077200       5.623400       1.542000    
 H   -5.514400      0.2537000      -1.177900    
 H   -3.403400     -0.4029000       2.521200    
 H    4.736600      -2.861700      0.8058000    
 H   -5.860500     -0.3005000       2.372300    
 H    6.597400      -2.867700       2.075200    
 H    6.849600      -1.125500       1.813500    
 H    7.648100      -1.634200     -0.5433000    
 H    8.651300      -2.422500      0.6924000    
 H   -5.573800      -2.863500       2.925600    
 H   -5.892100      -4.148900       1.727400    
 H   -4.475600      -3.084900       1.515500    
 H   -3.212900      0.4039000      -4.484300    
 H   -2.233700     -0.5287000      -3.331700    
 H   -4.005700     -0.7862000      -3.429000    
 H    6.477000      -3.608900     -0.7043000    


%chk=000153812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153812

0 1
S -6.580551 -2.631037 0.292767
O -3.358796 1.699068 -1.491253
O 5.170065 -3.152536 -0.238007
O -7.756534 -3.351269 1.153401
O -6.911775 -1.688502 -0.993346
O 6.696641 -0.249913 2.742247
N -0.968584 1.024745 -0.662629
N 3.258711 0.678059 -0.102959
N 5.431683 -0.859426 0.103543
N -5.543620 -1.430035 1.598020
C 0.419904 0.872813 -0.468665
C 1.081477 -0.393308 -0.604994
C 1.195787 2.048052 -0.195243
C 2.524217 -0.450722 -0.368944
C 2.633865 1.895728 -0.044210
C 3.200803 -1.736930 -0.458123
C 0.396737 -1.579642 -1.036787
C -2.034109 0.319775 -0.078040
C 0.620515 3.355703 -0.030800
C 2.467218 -2.865771 -0.832576
C 3.438112 3.060546 0.205016
C 1.077327 -2.788171 -1.149923
C -3.353537 0.692846 -0.511387
C -1.909106 -0.659248 0.941179
C 4.679215 -1.974169 -0.186174
C 1.427856 4.464899 0.213998
C -4.356186 -0.898540 1.050584
C 2.851450 4.317715 0.320677
C -4.494973 0.109155 0.046792
C -3.050132 -1.286892 1.472468
C 6.876246 -0.954957 0.354344
C 7.184785 -1.294058 1.828354
C -5.387210 -4.009506 -0.353479
C -4.664022 2.151079 -1.995138
H -1.279606 1.847204 -1.191591
H -0.663934 -1.522451 -1.293601
H -0.466837 3.482957 -0.068396
H 3.013184 -3.813698 -0.891929
H 4.519060 2.920694 0.303762
H 0.550695 -3.685092 -1.491781
H -0.917192 -0.932330 1.310356
H 0.975873 5.453989 0.342456
H 3.473185 5.198928 0.511290
H -5.504180 0.395693 -0.256565
H -2.933428 -2.056163 2.245351
H 4.907247 0.046084 0.082119
H -5.382839 -2.072253 2.399976
H 7.334424 0.017277 0.098929
H 7.304806 -1.741897 -0.294115
H 6.749978 -2.282410 2.077883
H 8.275118 -1.328372 1.988730
H -5.199471 -4.683418 0.493383
H -5.936259 -4.501969 -1.168050
H -4.482061 -3.498566 -0.709625
H -4.432565 2.898298 -2.767492
H -5.224560 1.307172 -2.436933
H -5.258625 2.613033 -1.185193
H 5.713107 -0.187162 2.628626


