%chk=000110175.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110175

0 1
 S    3.571800      -3.390400     -5.6100000E-02
 S    3.992600       3.435100     -0.1559000    
 S    8.011200     -0.3331000      2.0099999E-02
 O    2.954800      -3.588400      -1.553900    
 O    4.694600       3.585500      -1.621600    
 O    8.483000     -0.3346000      -1.545300    
 O    4.670000      -4.330000      8.5600004E-02
 O    2.473900      -3.370900      0.8928000    
 O    2.889000       4.377700     -0.1075000    
 O    5.034400       3.447000      0.8545000    
 O    8.493900      -1.558100      0.6384000    
 O    8.368100      0.9666000      0.5698000    
 N  -0.1002000      0.3985000     -0.2227000    
 N  -0.5607000      0.3922000      0.9430000    
 N   -6.135300      5.2600000E-02  0.7959000    
 N   -6.531300      6.3000000E-03 -0.3924000    
 N   -12.11750     -0.3330000     -0.5294000    
 C    4.097700      0.6557000     -0.1068000    
 C    3.466600     -0.6110000     -0.1038000    
 C    4.256200      -1.771600     -6.1700001E-02
 C    3.308100       1.816400     -0.1488000    
 C    5.499900      0.7245000     -6.7699999E-02
 C    6.268800     -0.4389000     -2.6200000E-02
 C    5.648000      -1.684600     -2.3200000E-02
 C    2.064400     -0.6797000     -0.1429000    
 C    1.916200       1.729300     -0.1873000    
 C    1.295600      0.4837000     -0.1843000    
 C   -1.963100      0.3068000      0.9049000    
 C   -2.725100       1.470400      0.8640000    
 C   -2.579200     -0.9407000      0.9098000    
 C   -4.739800      0.1375000      0.8321000    
 C   -4.117000       1.385500      0.8275000    
 C   -3.971000      -1.025700      0.8732000    
 C   -7.933700     -7.9300001E-02 -0.4282000    
 C   -10.71050     -0.2479000     -0.4966000    
 C   -8.695200       1.084500     -0.4685000    
 C   -8.549900      -1.326600     -0.4220000    
 C   -10.08720      0.9998000     -0.5027000    
 C   -9.941800      -1.411200     -0.4563000    
 H    6.036800       1.661600     -0.1307000    
 H    6.264200      -2.577900     -4.4000000E-03
 H    1.516500      -1.612900     -0.1934000    
 H    1.287400       2.614600     -0.2242000    
 H    3.608200      -3.540800      -2.290900    
 H    4.084400       3.513400      -2.392900    
 H    8.155000      0.4218000      -2.086300    
 H   -2.247900       2.446700      0.8612000    
 H   -1.987600      -1.851700      0.9428000    
 H   -4.707400       2.297600      0.7967000    
 H   -4.447200      -2.002800      0.8782000    
 H   -8.217600       2.060700     -0.4739000    
 H   -7.958600      -2.237800     -0.3910000    
 H   -10.67500       1.913700     -0.5337000    
 H   -10.41570      -2.389500     -0.4508000    
 H   -12.57030      -1.237400     -0.5278000    
 H   -12.67510      0.5101000     -0.5614000    


%chk=000110175-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110175

0 1
S 3.707762 -3.272423 0.361600
S 4.210877 3.790437 -0.255655
S 8.309010 -0.178225 0.126555
O 3.068492 -3.309226 -1.379424
O 4.897856 3.525394 -1.958452
O 8.489159 -0.569881 -1.677796
O 4.917398 -4.328846 0.531336
O 2.439671 -3.336831 1.363949
O 3.014255 4.873218 -0.295874
O 5.460594 4.003355 0.751470
O 8.891529 -1.424028 0.977162
O 8.800924 1.333325 0.406545
N 0.002295 0.824630 -0.050935
N -0.578414 -0.345631 0.119805
N -6.219337 -0.763863 0.093156
N -6.938556 0.322027 -0.141468
N -12.561721 -0.107648 -0.131740
C 4.307523 0.905360 -0.002784
C 3.609993 -0.377643 0.102000
C 4.448081 -1.538062 0.207553
C 3.468763 2.059193 -0.123187
C 5.736970 0.948050 0.001174
C 6.436214 -0.243408 0.105306
C 5.832787 -1.519885 0.206643
C 2.187057 -0.424232 0.094975
C 2.088365 2.021370 -0.144174
C 1.429100 0.754551 -0.024868
C -1.990758 -0.328137 0.090348
C -2.796353 0.834863 -0.144420
C -2.615175 -1.589747 0.316043
C -4.816259 -0.540282 0.075098
C -4.187255 0.729455 -0.152989
C -4.012896 -1.693497 0.309919
C -8.333413 0.127732 -0.121272
C -11.179646 -0.025581 -0.129736
C -9.125264 1.286972 -0.377309
C -8.992961 -1.118388 0.132448
C -10.522339 1.219308 -0.383303
C -10.385843 -1.193444 0.128306
H 6.274170 1.901067 -0.050902
H 6.424502 -2.438072 0.298587
H 1.650587 -1.371640 0.192655
H 1.487485 2.931472 -0.242533
H 2.569115 -4.168461 -1.504858
H 5.455341 4.324057 -2.192844
H 9.461335 -0.724516 -1.863261
H -2.294070 1.791893 -0.314553
H -1.974150 -2.458201 0.496774
H -4.827077 1.598573 -0.330494
H -4.518349 -2.648183 0.483737
H -8.604755 2.231000 -0.568722
H -8.377311 -2.001461 0.328109
H -11.118278 2.117710 -0.581185
H -10.887484 -2.149242 0.323398
H -13.034132 -0.989896 0.049553
H -13.135016 0.712864 -0.312166


