%chk=000173684.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173684

0 1
 Cl  -3.616600       4.119700      0.4614000    
 O    6.638300     -0.8889000      0.9513000    
 O    2.516100       1.566400      -1.008600    
 O  -0.9858000      -1.461200      0.9808000    
 N    4.242900     -0.5342000     -0.5447000    
 N   0.7294000      0.1980000     -0.3399000    
 C    4.400500      3.5799999E-02  0.8005000    
 C    5.056900      -1.750900     -0.6745000    
 C    5.875800      0.3122000       1.075900    
 C    6.516800      -1.433200     -0.3634000    
 C    2.837300     -0.8178000     -0.8266000    
 C    2.035400      0.4694000     -0.7429000    
 C  -0.3235000       1.123100     -0.1438000    
 C   -1.574200      0.6857000      0.2630000    
 C  -6.9600001E-02   2.467500     -0.3674000    
 C   -1.858600     -0.7235000      0.5039000    
 C   -2.596800       1.615600      0.4509000    
 C   -1.092000       3.397500     -0.1797000    
 C   -3.185200      -1.333500      0.1953000    
 C   -2.355700       2.971500      0.2296000    
 C   -4.171700     -0.5350000     -0.3369000    
 C   -3.370400      -2.672600      0.4539000    
 C   -5.410600      -1.106500     -0.6266000    
 C   -4.609400      -3.244100      0.1642000    
 C   -5.629500      -2.461100     -0.3760000    
 H    4.019500     -0.6669000       1.553700    
 H    3.865700      0.9812000      0.9291000    
 H    4.988400      -2.147000      -1.694100    
 H    4.697600      -2.525000      1.6100001E-02
 H    6.278700       1.074600      0.3980000    
 H    6.001600      0.6794000       2.099500    
 H    7.113700      -2.350000     -0.4003000    
 H    6.941900     -0.7311000      -1.091000    
 H    2.720100      -1.199200      -1.848000    
 H    2.441600      -1.570500     -0.1335000    
 H   0.4916000     -0.7762000     -0.1749000    
 H   0.8746000       2.883700     -0.6833000    
 H   -3.532200       1.364900      0.9451000    
 H  -0.8912000       4.451400     -0.3554000    
 H   -4.063600      0.4571000     -0.7459000    
 H   -2.591800      -3.302200      0.8729000    
 H   -6.192900     -0.5089000      -1.086200    
 H   -4.779400      -4.299400      0.3570000    
 H   -6.590900      -2.908400     -0.6108000    


%chk=000173684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173684

0 1
Cl -3.932419 4.153989 0.459998
O 7.166181 -0.872994 0.293481
O 2.567571 1.679286 -0.321284
O -1.046482 -1.620521 0.477032
N 4.332703 -0.577428 -0.251767
N 0.708117 0.283316 0.069087
C 4.966153 0.117605 0.899333
C 5.048788 -1.838136 -0.571529
C 6.448514 0.379691 0.594381
C 6.529636 -1.535579 -0.855424
C 2.891470 -0.775803 -0.102777
C 2.071601 0.533080 -0.135689
C -0.359350 1.198431 0.091757
C -1.710379 0.687044 0.199559
C -0.150523 2.605995 0.017447
C -1.988253 -0.776061 0.227552
C -2.785227 1.615847 0.323231
C -1.232769 3.497926 0.109830
C -3.357504 -1.322576 -0.048240
C -2.538674 2.991299 0.281308
C -4.227377 -0.769405 -1.028072
C -3.744971 -2.509241 0.632047
C -5.468153 -1.383652 -1.303832
C -4.992839 -3.107714 0.369874
C -5.859361 -2.545259 -0.598639
H 4.884085 -0.494685 1.833719
H 4.452607 1.081097 1.056453
H 4.591307 -2.297937 -1.468918
H 4.984658 -2.577095 0.267631
H 6.529418 1.073632 -0.268932
H 6.963140 0.810239 1.468951
H 7.100540 -2.465234 -1.016369
H 6.607293 -0.886703 -1.754288
H 2.536735 -1.408540 -0.940961
H 2.615947 -1.325198 0.838935
H 0.395780 -0.693713 0.263712
H 0.868847 2.977211 -0.099580
H -3.801502 1.248643 0.481673
H -1.058743 4.577216 0.066899
H -3.920237 0.111994 -1.600273
H -3.052297 -2.946664 1.358186
H -6.124860 -0.959578 -2.070902
H -5.289444 -4.012099 0.911704
H -6.826929 -3.014325 -0.808606


