%chk=000089320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089320

2 1
 S    4.999500      -2.210800       1.913400    
 S   -5.460800      -1.888700      -1.895300    
 O   0.7482000       4.791000     -0.6170000    
 O    2.408100       3.986700      0.7114000    
 N    6.373600      -1.631600     -0.1803000    
 N   -6.788300      -1.164500      0.1830000    
 N    2.683200       1.257000      0.2726000    
 N   -2.888400       1.436000     -0.3236000    
 C    6.879600      -2.983200      0.2079000    
 C   -7.393600      -2.482500     -0.1773000    
 C    5.823900      -3.613500       1.107200    
 C   -6.387600      -3.208600      -1.061100    
 C    5.471500      -1.157300      0.6029000    
 C    6.956100     -0.9511000      -1.355400    
 C   -5.853200     -0.7754000     -0.6082000    
 C   -7.318700     -0.4178000       1.342600    
 C    6.150400      -1.304300      -2.587200    
 C   -6.542000     -0.8037000       2.583000    
 C    4.799500      0.1384000      0.5130000    
 C   -5.086600      0.4683000     -0.5444000    
 C    3.471300      0.1662000      0.3722000    
 C   -3.761000      0.3984000     -0.4021000    
 C    1.279800       1.318600      0.1231000    
 C   -1.493000       1.397000     -0.1740000    
 C   0.6222000       2.545600      3.4600001E-02
 C  -0.7641000       2.584800     -0.1140000    
 C   0.5509000      0.1308000      6.3000001E-02
 C  -0.8354000      0.1700000     -8.5500002E-02
 C    1.355100       3.804100      9.5299996E-02
 H    7.830200      -2.833200      0.7314000    
 H    7.047800      -3.578300     -0.6948000    
 H   -7.605800      -3.044200      0.7375000    
 H   -8.330200      -2.273400     -0.7055000    
 H    5.081400      -4.154600      0.5111000    
 H    6.260300      -4.303100       1.834700    
 H   -6.873900      -3.879100      -1.774700    
 H   -5.687600      -3.790800     -0.4525000    
 H    6.959700      0.1289000      -1.179200    
 H    7.995800      -1.279700      -1.455400    
 H   -7.241800      0.6556000       1.143600    
 H   -8.380100     -0.6658000       1.447600    
 H    6.575900     -0.8130000      -3.468100    
 H    5.107500     -0.9814000      -2.494600    
 H    6.149300      -2.383900      -2.773600    
 H   -6.929800     -0.2635000       3.452600    
 H   -5.478000     -0.5616000       2.485600    
 H   -6.621500      -1.876100       2.792300    
 H    5.399500       1.040800      0.4909000    
 H   -5.617200       1.413300     -0.5423000    
 H    2.950700     -0.7815000      0.3411000    
 H   -3.306100     -0.5819000     -0.3494000    
 H    3.168200       2.146900      0.3038000    
 H   -3.299500       2.362300     -0.3784000    
 H   -1.295800       3.532100     -0.1706000    
 H   0.9981000     -0.8544000      0.1248000    
 H   -1.344600     -0.7861000     -0.1251000    
 H    1.247500       5.634200     -0.5714000    


%chk=000089320-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089320

2 1
S 5.237109 -3.195804 0.219692
S -5.730330 -2.775414 -0.220769
O 0.573236 4.229637 -0.139282
O 2.640703 3.192926 -0.201953
N 7.161599 -1.447487 -0.299094
N -7.554936 -0.919660 0.283927
N 2.716697 0.563413 -0.113882
N -2.969977 0.796338 0.111205
C 7.911694 -2.724076 -0.084289
C -8.374082 -2.152393 0.061958
C 6.931608 -3.883486 -0.325006
C -7.464190 -3.364466 0.316334
C 5.819730 -1.511438 -0.131677
C 7.933304 -0.204558 -0.597877
C -6.217739 -1.059760 0.126081
C -8.260449 0.361938 0.580815
C 8.015291 0.090227 -2.109353
C -8.367034 0.639560 2.094075
C 4.936658 -0.393716 -0.190798
C -5.269604 0.003402 0.189966
C 3.551585 -0.513959 -0.104511
C -3.894660 -0.206827 0.112917
C 1.304806 0.571453 -0.054921
C -1.550630 0.679753 0.060984
C 0.617631 1.834836 -0.066834
C -0.793612 1.867881 -0.009859
C 0.527638 -0.616702 0.019783
C -0.872141 -0.569553 0.079731
C 1.376670 3.111411 -0.141346
H 8.304939 -2.729662 0.950523
H 8.761901 -2.772754 -0.784998
H -9.234126 -2.150950 0.752296
H -8.754481 -2.138189 -0.977552
H 6.849101 -4.167067 -1.383993
H 7.154067 -4.761864 0.295939
H -7.731283 -4.232114 -0.302101
H -7.404775 -3.646374 1.377291
H 7.480081 0.639699 -0.050213
H 8.943249 -0.348698 -0.176783
H -7.744219 1.186218 0.059011
H -9.264949 0.283952 0.130054
H 8.620483 0.998559 -2.272522
H 7.016077 0.259787 -2.546043
H 8.497878 -0.737380 -2.657444
H -8.921217 1.580130 2.256017
H -7.372130 0.740830 2.560919
H -8.913960 -0.164856 2.615564
H 5.372880 0.604922 -0.303092
H -5.649088 1.025900 0.296331
H 3.093353 -1.506057 -0.032463
H -3.501715 -1.226478 0.051767
H 3.117493 1.531464 -0.165382
H -3.323287 1.759314 0.136423
H -1.280188 2.848837 -0.025535
H 1.007137 -1.598711 0.035269
H -1.416086 -1.515996 0.145926
H 1.116492 5.062464 -0.190027


