%chk=000188249.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188249

0 1
Cl 4.972632 -3.067436 0.824978
O 1.655544 1.316789 -1.248118
N -1.906598 -0.510480 0.201397
N -4.571032 -1.513493 -0.301532
N 0.367198 -1.077469 -0.049677
N 1.084169 3.295953 -0.243448
C -2.186037 -1.985336 0.225164
C -2.828486 0.184460 -0.758955
C -3.648347 -2.210151 0.654609
C -4.282544 -0.041489 -0.301072
C -0.528979 -0.132770 0.095259
C -5.995084 -1.767201 0.066808
C -0.261111 1.315222 0.296924
C 0.810605 1.969901 -0.355113
C 1.762201 -0.866073 -0.088981
C -1.043847 2.099550 1.159603
C 2.391646 0.263880 -0.665911
C 2.590272 -1.907291 0.378316
C -0.779894 3.464227 1.295173
C 3.779423 0.376727 -0.788486
C 0.277381 4.031975 0.564686
C 3.972400 -1.784878 0.247713
C 4.584419 -0.667331 -0.331016
H -1.499889 -2.472134 0.953996
H -1.992359 -2.456965 -0.764759
H -2.695646 -0.207556 -1.794640
H -2.606394 1.270862 -0.788967
H -3.869249 -3.299323 0.614923
H -3.787357 -1.884657 1.708296
H -4.449078 0.436837 0.688024
H -4.970183 0.447465 -1.025103
H -6.649372 -1.286314 -0.678554
H -6.289673 -1.415740 1.066323
H -6.190624 -2.850758 0.008598
H -1.860698 1.633757 1.720769
H 2.139068 -2.797145 0.823119
H -1.380837 4.081233 1.959771
H 4.207244 1.272277 -1.243505
H 0.512285 5.102976 0.626786
H 5.669130 -0.611602 -0.420899


%chk=000188249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188249

0 1
Cl 5.024960 -3.031164 1.271288
O 1.657549 1.254189 -1.338313
N -1.881097 -0.579483 -0.214691
N -4.629944 -1.435514 -0.187733
N 0.390007 -1.107557 -0.104916
N 1.075938 3.270665 -0.288216
C -2.209635 -2.023181 -0.218487
C -2.937606 0.242634 -0.852032
C -3.571563 -2.243436 0.463803
C -4.289904 0.003565 -0.157768
C -0.548434 -0.173092 -0.112936
C -5.973801 -1.714341 0.352891
C -0.303584 1.284908 0.137042
C 0.794311 1.964498 -0.463576
C 1.770836 -0.869506 -0.049984
C -1.098261 2.040646 1.037530
C 2.426428 0.243805 -0.664767
C 2.600904 -1.868489 0.536934
C -0.813648 3.406742 1.249273
C 3.825152 0.358795 -0.705936
C 0.267103 3.986399 0.547201
C 3.996076 -1.730614 0.501659
C 4.636748 -0.637473 -0.117284
H -1.403449 -2.560461 0.303343
H -2.249514 -2.398132 -1.261901
H -3.029418 -0.054926 -1.918102
H -2.669537 1.308932 -0.816619
H -3.843327 -3.312206 0.383304
H -3.476177 -1.995198 1.552854
H -4.238360 0.398648 0.892195
H -5.076564 0.567076 -0.693081
H -6.729310 -1.140867 -0.213443
H -6.079652 -1.452739 1.436160
H -6.204319 -2.788252 0.236606
H -1.924015 1.550225 1.564027
H 2.122918 -2.738318 0.993848
H -1.411056 4.009946 1.938734
H 4.265607 1.229777 -1.199285
H 0.513159 5.048193 0.656176
H 5.726778 -0.564194 -0.143298


