%chk=000086211.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086211

0 1
 Cl  -6.533000     -9.2500001E-02 -0.3421000    
 O    1.763900      0.1097000       1.607100    
 N    1.717400       2.142700     -0.4307000    
 N   0.7308000       2.513100      -1.248700    
 N    1.208000       4.119900      0.3080000    
 C    1.653700     -0.2446000      0.2343000    
 C    2.225700      -1.657600      1.6400000E-02
 C   0.1806000     -0.4153000     -0.2016000    
 C    1.571500      -2.134500      -1.284100    
 C   0.2688000      -1.339300      -1.425900    
 C    3.745400      -1.763200     -1.1000000E-02
 C    2.354300      0.8437000     -0.5890000    
 C  -0.7285000      -1.017200      0.8748000    
 C    4.340500      -1.242600       1.294200    
 C    4.176200      -3.205400     -0.2626000    
 C   -2.183800     -0.7847000      0.5688000    
 C    2.001700       3.090000      0.4898000    
 C   -2.808100      0.3604000       1.043700    
 C   -2.882200      -1.719400     -0.1833000    
 C   -4.157000      0.5752000      0.7612000    
 C   -4.231200      -1.504700     -0.4660000    
 C   0.4540000       3.723600     -0.7593000    
 C   -4.868700     -0.3572000      6.2000002E-03
 H    1.863900      -2.300500      0.8334000    
 H  -0.2824000      0.5257000     -0.4971000    
 H    1.367900      -3.210500      -1.249100    
 H    2.207600      -1.948000      -2.157400    
 H   0.3258000     -0.7304000      -2.337200    
 H  -0.5789000      -2.010900      -1.561500    
 H    4.154000      -1.162800     -0.8332000    
 H    2.366100      0.6187000      -1.661600    
 H    3.391800      0.9940000     -0.2740000    
 H  -0.5281000     -0.5758000       1.858200    
 H  -0.5435000      -2.091900      0.9998000    
 H    1.180200      0.8673000       1.778500    
 H    3.893500      -1.737100       2.163700    
 H    5.418100      -1.440800       1.325800    
 H    4.227100     -0.1631000       1.414300    
 H    3.771300      -3.881500      0.4984000    
 H    5.268100      -3.292200     -0.2373000    
 H    3.850500      -3.563000      -1.244300    
 H    2.766500       2.993000       1.247400    
 H   -2.262300       1.094600       1.629700    
 H   -2.411600      -2.632000     -0.5358000    
 H   -4.640400       1.474100       1.135000    
 H   -4.774800      -2.243000      -1.050200    
 H  -0.3226000       4.335600      -1.193300    


%chk=000086211-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086211

0 1
Cl -6.771808 -0.727473 -0.513848
O 1.823064 0.149896 1.695876
N 1.936251 2.279945 -0.334019
N 0.911079 2.839648 -1.112220
N 1.617583 4.332458 0.522800
C 1.637516 -0.158128 0.264309
C 2.187500 -1.594905 -0.015165
C 0.132880 -0.244352 -0.169557
C 1.468432 -2.002580 -1.339091
C 0.187367 -1.112194 -1.460899
C 3.728501 -1.804145 -0.059561
C 2.406576 0.909007 -0.574571
C -0.768202 -0.874256 0.934769
C 4.435749 -1.403456 1.258599
C 4.055108 -3.283171 -0.389333
C -2.246776 -0.844009 0.574790
C 2.335080 3.185831 0.629844
C -2.943336 0.389837 0.476284
C -2.968878 -2.039230 0.330444
C -4.314960 0.436795 0.146790
C -4.343750 -2.017184 -0.001834
C 0.767121 4.072957 -0.547101
C -4.995486 -0.774018 -0.089050
H 1.801472 -2.215408 0.819986
H -0.256458 0.764761 -0.402547
H 1.221166 -3.077849 -1.341197
H 2.141601 -1.833792 -2.201974
H 0.243615 -0.466316 -2.355575
H -0.731495 -1.714224 -1.567851
H 4.141449 -1.186308 -0.887445
H 2.299645 0.707246 -1.652268
H 3.475152 0.872827 -0.307296
H -0.605021 -0.329657 1.884953
H -0.450914 -1.917091 1.122143
H 1.308940 0.968764 1.920061
H 4.078437 -2.035167 2.093555
H 5.529083 -1.545142 1.167144
H 4.233734 -0.358487 1.546169
H 3.632996 -3.954971 0.383326
H 5.149002 -3.442828 -0.410779
H 3.649034 -3.592396 -1.368608
H 3.134143 2.996585 1.341624
H -2.413219 1.331668 0.663623
H -2.457140 -3.006012 0.408089
H -4.843996 1.391773 0.077879
H -4.892479 -2.945428 -0.185265
H 0.042438 4.789780 -0.923602


