%chk=000096991.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096991

0 1
 S    5.269000       3.165400       1.103000    
 S   -5.282800       3.151400      -1.103400    
 O    5.864500      -1.615000     -0.6753000    
 O   -5.854600      -1.603900      0.7484000    
 N    2.919500      -1.811600     -0.9011000    
 N   -2.905800      -1.809000      0.9093000    
 N    3.262500       1.450900      0.3476000    
 N   -3.265700       1.438900     -0.3724000    
 N    1.531400     -0.1627000     -0.3500000    
 N   -1.524900     -0.1725000      0.3059000    
 N    5.537600      0.5774000      0.1361000    
 N   -5.538400      0.5768000     -9.7999997E-02
 C  -1.8600000E-02  -3.129300     -2.5100000E-02
 C   0.5011000      -2.272400      -1.199400    
 C  -0.4830000      -2.275400       1.158200    
 C    1.619000      -1.392900     -0.8096000    
 C   -1.631500      -1.376800      0.7745000    
 C    3.702100     -0.7784000     -0.4708000    
 C   -3.694500     -0.7783000      0.4841000    
 C    2.831300      0.2200000     -0.1390000    
 C   -2.827900      0.2126000      0.1197000    
 C    5.118400     -0.6903000     -0.3648000    
 C   -5.112500     -0.6861000      0.4093000    
 C    4.667900       1.685000      0.5102000    
 C   -4.673600       1.676300     -0.5058000    
 C    2.258900       2.471600      0.6801000    
 C   -2.266300       2.451500     -0.7407000    
 C    6.992400      0.7368000      0.2725000    
 C   -6.995500      0.7402000     -0.2032000    
 H  -0.8415000      -3.759600     -0.3843000    
 H   0.7770000      -3.802700      0.3172000    
 H   0.8222000      -2.948300      -2.002300    
 H  -0.3099000      -1.672700      -1.627600    
 H   0.3343000      -1.672400       1.567500    
 H  -0.8008000      -2.941500       1.970500    
 H    3.240200      -2.715100      -1.224200    
 H   -3.218700      -2.708600       1.251600    
 H    2.356600       2.742000       1.735900    
 H    1.240400       2.113900      0.5060000    
 H    2.429300       3.357200      6.0100000E-02
 H   -1.245400       2.091700     -0.5861000    
 H   -2.419000       3.345100     -0.1276000    
 H   -2.387700       2.709500      -1.797200    
 H    7.234800      0.9422000       1.319900    
 H    7.321900       1.575700     -0.3483000    
 H    7.543900     -0.1544000     -3.7200000E-02
 H   -7.543000     -0.1449000      0.1302000    
 H   -7.260900      0.9333000      -1.247300    
 H   -7.307600       1.588100      0.4144000    


%chk=000096991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096991

0 1
S 4.079080 2.129199 3.571690
S -6.849423 0.953296 0.193739
O 6.155078 -0.369242 -0.392066
O -1.922945 2.232187 0.816575
N 3.302516 -0.737323 -1.514348
N -1.173664 -0.547468 -0.306719
N 2.691819 1.112083 1.457609
N -4.723896 -0.646390 -0.386975
N 1.480486 0.069643 -0.453600
N -2.752941 -2.081869 -0.906510
N 5.086028 0.783951 1.404238
N -4.179297 1.536830 0.475098
C 0.450130 -2.567181 -2.428264
C 1.036068 -1.136840 -2.645881
C -0.305577 -2.793968 -1.086150
C 1.925171 -0.616490 -1.551780
C -1.413226 -1.822068 -0.788725
C 3.762411 -0.100839 -0.357219
C -2.411191 0.053686 -0.099609
C 2.617396 0.394905 0.277135
C -3.361990 -0.908793 -0.476905
C 5.094290 0.061226 0.153237
C -2.745508 1.344254 0.425498
C 3.948214 1.304281 2.075838
C -5.169814 0.598687 0.088091
C 1.466252 1.681504 2.070015
C -5.696513 -1.682211 -0.793964
C 6.409842 0.992694 2.038953
C -4.641648 2.847125 0.990007
H -0.238044 -2.766927 -3.270729
H 1.263345 -3.316102 -2.490060
H 1.591448 -1.129446 -3.602679
H 0.202575 -0.421433 -2.758243
H 0.421822 -2.772201 -0.252071
H -0.748621 -3.804219 -1.105045
H 3.905938 -1.186111 -2.204268
H -0.206751 -0.124442 -0.205797
H 1.206347 1.128491 2.988131
H 0.638636 1.632986 1.346511
H 1.657429 2.729421 2.348480
H -5.121496 -2.563415 -1.115478
H -6.328076 -1.303900 -1.614748
H -6.356458 -1.931391 0.053218
H 6.424592 0.525348 3.037013
H 6.598971 2.071151 2.164167
H 7.163153 0.535692 1.380933
H -3.744463 3.434431 1.234185
H -5.270336 2.699767 1.883358
H -5.251058 3.356130 0.225610


