%chk=000162024.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162024

0 1
 S    4.358900       1.003400      -1.552900    
 S   0.3551000      -3.580000      0.6777000    
 O   -2.372700       2.583300      0.4717000    
 O   -4.693000      -2.111900     -0.5848000    
 O   0.5576000      -4.101600     -0.8565000    
 O    3.496300      0.1602000      -2.368300    
 O    5.113400       2.077200      -2.182600    
 O    1.664100      -3.189200       1.174000    
 O  -0.4524000      -4.556300       1.388200    
 O    6.179400      -2.719700      -1.060200    
 N  -6.9799997E-02   1.481700       1.010700    
 N   -2.527900      -3.446500     -0.1070000    
 N    5.442500      6.0999999E-03 -0.6876000    
 C   -2.098000      0.2329000      0.3405000    
 C   -2.703400     -0.9947000      6.3900001E-02
 C  -0.7503000      0.2778000      0.7167000    
 C   -1.960800      -2.177400      0.1632000    
 C  -0.6179000      -2.128100      0.5382000    
 C   -2.869600       1.488500      0.2390000    
 C   -4.291000       1.426600     -0.1581000    
 C   -4.896500      0.1990000     -0.4344000    
 C   -4.124800      -1.056600     -0.3337000    
 C  -1.3900000E-02 -0.9032000      0.8143000    
 C    1.274400       1.871300      0.8749000    
 C    3.399100       1.711300     -0.2719000    
 C    2.065900       1.323900     -0.1378000    
 C    3.945100       2.647200      0.6065000    
 C   -5.033600       2.609300     -0.2572000    
 C   -6.244500      0.1540000     -0.8100000    
 C    1.824600       2.808500       1.752900    
 C    3.157900       3.195900       1.618800    
 C   -6.376600       2.560000     -0.6317000    
 C   -6.980700       1.335000     -0.9077000    
 C    5.368900       3.083700      0.4907000    
 C    4.924800      -1.077600      0.1599000    
 C    5.949500      -2.194300      0.2409000    
 H    1.022400     -0.8709000       1.136600    
 H  -0.6579000       2.187700       1.443200    
 H    1.632200      0.6145000     -0.8366000    
 H   -4.588200       3.578200     -4.8000000E-02
 H   -6.741200     -0.7869000      -1.030800    
 H    1.222000       3.243200       2.546400    
 H    3.565900       3.927200       2.311500    
 H   -1.974300      -4.289800     -6.1600000E-02
 H   -3.496700      -3.525300     -0.3816000    
 H    6.379500      0.3599000     -0.4613000    
 H   -6.952200       3.478000     -0.7084000    
 H   -8.026500       1.299500      -1.199100    
 H    5.519200       3.708700     -0.3940000    
 H    5.655400       3.702200       1.350400    
 H    6.066400       2.245200      0.4945000    
 H    3.994100      -1.468200     -0.2646000    
 H    4.722900     -0.6860000       1.161500    
 H    5.584000      -3.005500      0.8772000    
 H    6.903600      -1.839900      0.6445000    
 H    1.037200      -3.481100      -1.454400    
 H    6.487600      -1.986500      -1.620100    


%chk=000162024-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162024

0 1
S 4.267330 0.308435 -1.434310
S 0.836160 -3.157169 -0.111382
O -2.614317 2.733679 0.795106
O -4.700552 -2.161044 -0.711618
O 1.393048 -2.829853 -1.803259
O 3.143110 -0.823614 -1.777541
O 5.139972 1.022087 -2.593716
O 2.038067 -2.824441 0.927735
O 0.133363 -4.612825 -0.168197
O 6.241729 -3.306603 -0.136712
N -0.211721 1.798370 0.797057
N -2.348258 -3.257288 -0.630922
N 5.482751 -0.569728 -0.394927
C -2.201053 0.401891 0.298613
C -2.742251 -0.885548 -0.068874
C -0.795470 0.552874 0.545679
C -1.880739 -2.044173 -0.225808
C -0.498766 -1.830844 0.111288
C -3.083739 1.579904 0.436153
C -4.529709 1.422819 0.173083
C -5.061903 0.154598 -0.196912
C -4.182047 -1.035598 -0.341500
C 0.014557 -0.621032 0.531065
C 1.152471 2.100848 0.606630
C 3.326140 1.599157 -0.360077
C 1.959820 1.335376 -0.277104
C 3.987740 2.668518 0.282611
C -5.392554 2.542557 0.298060
C -6.452515 0.022031 -0.438653
C 1.762627 3.203414 1.266803
C 3.132639 3.482384 1.080845
C -6.771364 2.401663 0.056090
C -7.302481 1.137347 -0.313049
C 5.474340 2.947585 0.171930
C 4.995429 -1.355814 0.765385
C 6.050542 -2.457333 1.029302
H 1.054863 -0.584998 0.863983
H -0.925930 2.546253 0.962315
H 1.538475 0.550547 -0.908107
H -4.955334 3.503568 0.584628
H -6.834328 -0.962824 -0.723289
H 1.163018 3.833340 1.932630
H 3.573122 4.343852 1.595829
H -1.713071 -4.064884 -0.660742
H -3.364093 -3.308788 -0.821487
H 6.283764 0.062788 -0.236671
H -7.435977 3.266681 0.151666
H -8.376071 1.030146 -0.500852
H 5.856816 2.728541 -0.840861
H 5.685510 4.007221 0.391348
H 6.054895 2.346898 0.900793
H 4.042240 -1.840017 0.488295
H 4.833810 -0.741389 1.675951
H 5.689040 -3.112767 1.839548
H 7.011128 -1.994219 1.350399
H 2.150833 -2.135646 -1.794291
H 6.260390 -2.713032 -0.934362


