%chk=000163869.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163869

0 1
 S   0.1061000       3.743900      -1.406700    
 S   0.8264000       4.077300       1.442300    
 O   -3.657400       1.126800      -1.976800    
 O   -2.857200       2.487800      0.3325000    
 O   -4.294400      -1.603100      -1.862600    
 O   -2.971100      -3.269800     -6.4900003E-02
 O   -4.398400      -2.641200       2.275700    
 N  -0.1367000       1.698000      0.3583000    
 C   -3.578000      0.4348000     -0.7319000    
 C   -2.513400       1.115600      0.1545000    
 C   -3.291500      -1.061100      -1.005400    
 C   -1.116100       1.041900     -0.4679000    
 C   -3.240000      -1.912800      0.2817000    
 C   0.5019000      0.8267000       1.364400    
 C   -4.533700      -1.866500       1.095300    
 C    1.742500      0.1696000      0.8322000    
 C    5.279700      -1.706000     -0.6839000    
 C    4.047500      -1.052100     -0.1563000    
 C   0.2467000       3.062200      0.2259000    
 C    2.980100      0.7975000      0.9736000    
 C    1.657500      -1.069200      0.1967000    
 C    4.132600      0.1867000      0.4793000    
 C    2.809900      -1.680000     -0.2975000    
 C    6.294900      -2.032700      0.4277000    
 C    5.962000     -0.8742000      -1.786400    
 H   -4.570200      0.5581000     -0.2847000    
 H   -2.516900      0.6596000       1.150100    
 H   -2.359900      -1.173800      -1.569800    
 H   -1.145600       1.494900      -1.460400    
 H  -0.8092000      5.7000001E-03 -0.6229000    
 H   -2.407100      -1.596300      0.9189000    
 H   0.7532000       1.399400       2.262700    
 H  -0.2210000      7.2200000E-02   1.699600    
 H   -5.367600      -2.285900      0.5231000    
 H   -4.783800     -0.8473000       1.399700    
 H   -3.826100       2.064200      -1.780300    
 H   -2.260500       2.853700       1.007000    
 H   -4.083300      -2.541800      -2.004400    
 H    5.003200      -2.664500      -1.144000    
 H    3.068300       1.756700       1.473900    
 H   0.7041000      -1.578800      8.9500003E-02
 H   -2.129000      -3.286800     -0.5511000    
 H    5.086200      0.6926000      0.6022000    
 H    2.726100      -2.646500     -0.7873000    
 H    6.692000      -1.127300      0.8989000    
 H    7.142000      -2.595500      2.0400001E-02
 H    5.831300      -2.642900       1.210900    
 H    6.345700      7.7500001E-02  -1.403200    
 H    5.258800     -0.6507000      -2.596400    
 H    6.805700      -1.425100      -2.216000    
 H   -5.243300      -2.585900       2.753900    
 H   0.5480000       4.973100      -1.103300    


%chk=000163869-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163869

0 1
S -0.889344 4.646459 -0.172049
S 0.761692 4.169970 2.410200
O -3.123787 1.145407 -2.405178
O -3.397822 2.429262 0.004054
O -3.478312 -1.816873 -2.081580
O -1.364674 -3.021900 -0.721402
O -2.483094 -1.349927 2.086342
N -0.318273 2.179677 0.842861
C -3.144150 0.381346 -1.151812
C -2.506207 1.249886 -0.036853
C -2.465065 -0.965544 -1.446148
C -1.041379 1.648719 -0.345633
C -1.896410 -1.725238 -0.223024
C 0.191437 1.138833 1.787278
C -2.931081 -2.059952 0.863145
C 1.272063 0.257303 1.171289
C 4.431318 -2.308012 -0.501457
C 3.330237 -1.414233 0.075767
C -0.103782 3.508933 1.096955
C 2.326953 0.815517 0.404148
C 1.258620 -1.142390 1.388037
C 3.335736 -0.008549 -0.134548
C 2.276229 -1.963323 0.847974
C 5.819800 -1.955037 0.096627
C 4.468123 -2.248162 -2.052043
H -4.191468 0.180925 -0.843194
H -2.555136 0.716083 0.932389
H -1.629139 -0.774031 -2.155918
H -1.017401 2.380040 -1.170210
H -0.467954 0.769299 -0.687250
H -1.077870 -1.157121 0.253173
H 0.585669 1.682564 2.664735
H -0.662063 0.517300 2.118170
H -2.929661 -3.154131 1.021510
H -3.946300 -1.733650 0.567479
H -3.572562 2.008468 -2.198235
H -2.933613 3.209400 0.406335
H -3.057171 -2.712444 -2.186643
H 4.198825 -3.352924 -0.211522
H 2.355930 1.898633 0.236275
H 0.455391 -1.589332 1.988097
H -0.445429 -2.884296 -1.065093
H 4.141175 0.448799 -0.721711
H 2.254052 -3.044158 1.036011
H 6.118934 -0.924728 -0.172051
H 6.594289 -2.642838 -0.290445
H 5.810311 -2.026919 1.198901
H 4.705958 -1.227979 -2.406317
H 3.495747 -2.539010 -2.489343
H 5.242808 -2.930623 -2.447926
H -3.116009 -1.529710 2.825352
H -0.445142 5.778914 0.481281


