%chk=000091940.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091940

0 1
 Cl -0.8980000      -4.614800     -0.1795000    
 S   -3.152300      -2.207300     -0.2361000    
 N   -1.746300      0.4896000     -0.1465000    
 N   -3.291500       2.891500     -0.1994000    
 N   0.4581000     -0.3796000     -7.1999997E-02
 N   0.8607000      -2.755500     -8.5000001E-02
 N    2.642900      -1.231800      5.2000000E-03
 C   -1.702700       1.418200      0.9901000    
 C   -2.150100       1.074900      -1.428600    
 C   -3.001300       2.223500       1.075400    
 C   -3.434000       1.892400      -1.265300    
 C  -0.8857000     -0.6136000     -0.1276000    
 C   -4.504400       3.701200     -8.9500003E-02
 C   -1.393300      -1.914800     -0.1630000    
 C    1.251900      -1.467300     -5.3900000E-02
 C  -0.4741000      -2.943900     -0.1397000    
 C    3.407600     -5.1199999E-02  5.1800001E-02
 C   -3.584100      -2.288500       1.524500    
 C    4.690300     -2.5100000E-02 -0.5000000    
 C    2.886900       1.097900      0.6506000    
 C    5.448400       1.144900     -0.4534000    
 C    3.645000       2.267900      0.6969000    
 C    4.925700       2.291500      0.1449000    
 H  -0.8442000       2.093000      0.8796000    
 H   -1.570300      0.8655000       1.928600    
 H   -2.322800      0.2910000      -2.175600    
 H   -1.340400       1.712000      -1.806800    
 H   -3.827100       1.557800       1.361100    
 H   -2.891200       2.967800       1.873300    
 H   -3.646600       2.389500      -2.219600    
 H   -4.274600       1.217500      -1.054500    
 H   -5.385500       3.098400      0.1588000    
 H   -4.700900       4.228200      -1.029800    
 H   -4.384200       4.470300      0.6816000    
 H    3.186300      -2.080400     -0.1210000    
 H   -4.656800      -2.472900       1.624300    
 H   -3.343000      -1.343900       2.019100    
 H   -3.040800      -3.101500       2.013300    
 H    5.109400     -0.9113000     -0.9700000    
 H    1.914200       1.113700       1.131000    
 H    6.445800       1.163200     -0.8828000    
 H    3.242300       3.158000       1.171600    
 H    5.516900       3.201700      0.1831000    


%chk=000091940-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091940

0 1
Cl -0.736645 -4.714190 -1.028714
S -3.137901 -2.558803 -0.466000
N -1.803024 0.449682 -0.341301
N -3.513045 2.780944 -0.205494
N 0.391558 -0.359331 -0.238098
N 0.966337 -2.690485 -0.608272
N 2.638733 -1.178173 -0.118118
C -1.271135 1.750958 0.138681
C -2.937888 0.625098 -1.288855
C -2.408618 2.580206 0.759059
C -4.048307 1.475936 -0.654833
C -0.945341 -0.646234 -0.405143
C -4.563957 3.675812 0.315591
C -1.388453 -2.016169 -0.570643
C 1.282397 -1.378391 -0.312800
C -0.339527 -2.961356 -0.705521
C 3.388245 -0.007204 0.155294
C -3.489609 -2.069210 1.331630
C 4.786922 -0.174195 0.364150
C 2.825018 1.296143 0.217011
C 5.606086 0.940087 0.629880
C 3.660560 2.401932 0.483553
C 5.048961 2.239484 0.692690
H -0.814976 2.311593 -0.704089
H -0.486032 1.559789 0.885711
H -3.339268 -0.356862 -1.577688
H -2.558684 1.145458 -2.194048
H -2.764424 2.066187 1.690926
H -2.007616 3.568271 1.052522
H -4.835988 1.653840 -1.410135
H -4.510941 0.904326 0.192144
H -5.073524 3.275434 1.228479
H -5.332176 3.838685 -0.461236
H -4.124479 4.656490 0.571238
H 3.166860 -2.050561 -0.208038
H -4.557772 -2.278628 1.500061
H -3.282220 -0.997393 1.472927
H -2.869861 -2.681617 2.002708
H 5.228314 -1.178145 0.317501
H 1.753997 1.415820 0.050036
H 6.680231 0.792966 0.787916
H 3.217385 3.403687 0.525254
H 5.686005 3.105819 0.899265


