%chk=000184127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184127

0 1
Cl 7.094279 -1.884989 -0.959728
O -3.483413 0.174450 -0.267671
O -5.966657 -1.649042 0.443639
O -3.001859 1.911373 1.089917
N 1.125532 0.624797 0.578936
N -0.987536 -1.902208 -0.722582
C -0.120338 1.183240 0.695967
C 2.387461 1.338743 0.914696
C -0.223953 2.578073 1.255953
C 3.563946 0.522444 0.444237
C -1.240714 0.448979 0.299762
C 0.113448 3.623359 0.197864
C 3.947842 0.562386 -0.905482
C 4.273814 -0.275817 1.353739
C -4.907173 0.472044 -0.146416
C -2.601111 0.955053 0.450285
C -5.502787 -0.396919 0.962114
C 5.042085 -0.184008 -1.347542
C 5.371555 -1.025144 0.923524
C 5.740356 -0.966376 -0.423136
C -4.904333 -2.591036 0.109533
C -1.110241 -0.842758 -0.268436
C -5.627674 -3.713632 -0.611402
H 2.434147 1.516219 2.016315
H 2.392879 2.351500 0.433295
H -1.268659 2.765576 1.634875
H 0.411363 2.700133 2.156121
H 1.242240 -0.320809 0.202928
H 1.149925 3.542639 -0.154675
H -0.026117 4.637611 0.595618
H -0.547528 3.533366 -0.676512
H 3.391108 1.174438 -1.616447
H 3.972756 -0.317796 2.401234
H -5.049463 1.551957 0.034241
H -5.283433 0.183473 -1.146766
H -4.782463 -0.556760 1.783824
H -6.435568 0.043675 1.365814
H 5.345886 -0.159525 -2.395121
H 5.929431 -1.647330 1.624767
H -4.434456 -2.921702 1.051080
H -4.152054 -2.087740 -0.526286
H -4.933403 -4.509571 -0.901967
H -6.124356 -3.344737 -1.518241
H -6.410566 -4.151024 0.021633


%chk=000184127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184127

0 1
Cl 7.315619 -0.945050 -1.766963
O -3.417867 0.137575 -0.703322
O -6.113456 -1.390194 0.020764
O -2.948554 2.065373 0.534531
N 1.073571 0.289838 0.809285
N -0.740839 -1.975122 -0.983432
C -0.129651 0.948271 0.804654
C 2.329939 0.726562 1.448644
C -0.216047 2.298532 1.489527
C 3.547895 0.282499 0.643875
C -1.227195 0.357121 0.130123
C 0.163209 3.460087 0.528090
C 3.593274 0.462206 -0.762387
C 4.668137 -0.282338 1.299356
C -4.827866 0.593798 -0.849138
C -2.562654 0.965362 0.045709
C -5.734590 0.001643 0.240415
C 4.735152 0.089097 -1.503155
C 5.822879 -0.655264 0.574946
C 5.836973 -0.462130 -0.819298
C -5.033936 -2.368131 0.281422
C -1.014500 -0.912896 -0.496266
C -5.666413 -3.757563 0.221010
H 2.399098 0.322656 2.478973
H 2.322115 1.827294 1.532085
H -1.254952 2.458306 1.814976
H 0.431835 2.312280 2.384169
H 1.105791 -0.631398 0.354303
H 1.182798 3.348181 0.114555
H 0.113749 4.422822 1.065929
H -0.550033 3.503176 -0.312066
H 2.731250 0.889853 -1.286916
H 4.646998 -0.438971 2.384368
H -4.850080 1.698092 -0.805481
H -5.133339 0.231462 -1.843882
H -5.259054 0.138295 1.236320
H -6.691570 0.555364 0.230571
H 4.768024 0.223762 -2.587920
H 6.686908 -1.092347 1.083258
H -4.594471 -2.168537 1.284421
H -4.228514 -2.256441 -0.470326
H -4.899886 -4.534565 0.395517
H -6.117793 -3.931041 -0.771407
H -6.457756 -3.860914 0.983663


