%chk=000083998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083998

0 1
 S    2.007300       1.816600      0.3138000    
 O  -0.1225000      -1.562600      -2.402800    
 O    3.613800      -1.603100      0.5583000    
 O   -2.967600      -2.596400       2.166600    
 O   -4.668100      -1.807600      0.8910000    
 O   0.5816000      0.5116000       2.686400    
 O    5.576600       1.380700      0.5309000    
 O    7.618700      0.4359000      0.8229000    
 O   -5.001500       2.546000      3.1099999E-02
 N    1.181900      -1.200800     -0.5152000    
 N    4.705300     -0.4404000      -1.126700    
 N   -4.342000      -3.957400     -0.8030000    
 N   -2.876100       2.936500     -0.9117000    
 C    2.287400     -0.5506000      -1.180100    
 C   -2.192400      -2.797100     -0.9710000    
 C  -0.9458000      -2.288000     -0.2444000    
 C    2.089700      0.9629000      -1.294600    
 C   -3.180700      -3.501800     -3.5100002E-02
 C   5.9599999E-02  -1.655800      -1.192000    
 C    3.585800     -0.9404000     -0.4768000    
 C   -3.706300      -2.553400       1.027200    
 C   0.2523000       1.754500      0.6506000    
 C    6.048500     -0.6537000     -0.6405000    
 C  -0.6243000       2.361300     -0.2489000    
 C  -0.2455000       1.115100       1.785900    
 C   -1.998700       2.329000     -1.3000000E-02
 C   -1.619900       1.082500       2.021700    
 C   -2.496600       1.689500       1.122400    
 C    6.508300      0.4253000      0.3057000    
 C   -4.273900       3.006700     -0.8425000    
 C   -4.854800       3.755000      -2.016100    
 H    2.348800     -0.9608000      -2.197000    
 H   -2.682300      -1.947400      -1.466400    
 H   -1.887800      -3.488500      -1.768000    
 H   -1.217600      -1.532500      0.4985000    
 H  -0.4513000      -3.116600      0.2761000    
 H    1.195900       1.176600      -1.889200    
 H    2.924100       1.416300      -1.839100    
 H   -2.716700      -4.369100      0.4476000    
 H    1.226400      -1.309000      0.4943000    
 H    4.596500      7.9899997E-02  -1.991600    
 H   -4.960500      -4.497300     -0.1984000    
 H   -4.036700      -4.595400      -1.537000    
 H    6.097500      -1.616000     -0.1226000    
 H    6.710500     -0.6595000      -1.511000    
 H  -0.2476000       2.875400      -1.130800    
 H   -2.022200      0.5859000       2.900900    
 H   -3.546200       1.620600       1.371500    
 H   -2.436500       3.381400      -1.714700    
 H   -3.301900      -1.969200       2.842600    
 H   4.8200000E-02  0.1207000       3.399500    
 H   -4.566700       3.263100      -2.949400    
 H   -4.486400       4.784700      -2.016500    
 H   -5.945900       3.767600      -1.944400    
 H    5.899000       2.069900       1.149900    


%chk=000083998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083998

0 1
S 2.198534 2.137688 -0.014732
O -0.281552 -0.827660 -2.281680
O 3.335193 -1.480773 0.926288
O -4.278785 -1.283439 0.997494
O -4.863888 -1.134280 -1.250609
O 1.543311 1.594440 2.849498
O 6.852813 0.769492 -1.524152
O 8.245339 0.125686 0.226952
O -4.785669 1.300105 0.908075
N 1.106135 -1.129780 -0.452238
N 4.706072 -0.403210 -0.594906
N -4.263377 -4.035695 -1.332368
N -3.064312 2.199332 -0.392398
C 2.284409 -0.564321 -1.107867
C -2.162480 -2.757946 -1.133991
C -1.233786 -1.881488 -0.263712
C 2.124499 0.935554 -1.476115
C -3.538261 -3.073410 -0.482649
C -0.108960 -1.251587 -1.090228
C 3.482373 -0.851734 -0.168721
C -4.303950 -1.746547 -0.300489
C 0.509950 1.977369 0.700125
C 5.887790 -0.564623 0.253874
C -0.647452 2.140170 -0.086402
C 0.372582 1.726176 2.091538
C -1.942598 2.020112 0.478998
C -0.920945 1.621638 2.657230
C -2.077486 1.759033 1.866568
C 7.120033 0.121937 -0.305469
C -4.385324 1.853306 -0.177364
C -5.340732 2.107249 -1.325059
H 2.446602 -1.096309 -2.072005
H -2.329545 -2.242821 -2.099230
H -1.684158 -3.728926 -1.355342
H -1.809076 -1.048158 0.185683
H -0.821977 -2.463936 0.582327
H 1.177255 1.056020 -2.023140
H 2.944061 1.271017 -2.136947
H -3.384463 -3.521206 0.514636
H 1.277087 -1.506619 0.488904
H 4.819221 0.127951 -1.460559
H -4.487746 -3.637807 -2.253548
H -5.103602 -4.420369 -0.885261
H 5.694183 -0.162386 1.267175
H 6.130121 -1.634868 0.402408
H -0.538708 2.345769 -1.158174
H -1.029044 1.423200 3.731401
H -3.069280 1.665696 2.309144
H -2.843746 2.564222 -1.322104
H -4.630223 -0.321052 1.071078
H 1.330819 1.360972 3.787357
H -4.923998 2.747861 -2.121288
H -6.264115 2.565813 -0.935129
H -5.603726 1.118984 -1.746529
H 7.675284 1.214958 -1.861450


