%chk=000267612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267612

0 1
Cl 0.639332 -1.048168 -1.633859
Cl 0.350673 0.637966 3.522064
O -5.377359 1.127529 -2.768010
O -4.583375 -0.773089 1.625129
O -8.911773 -0.284508 0.061939
N -4.489617 0.380854 -0.342901
N 1.838246 -0.243428 1.015550
N -7.520710 0.421971 -2.448293
N -9.173968 -0.769922 2.247829
N 5.049906 0.870622 0.116561
N 5.251243 -1.815640 -0.847708
N 7.624106 -1.598155 -0.943860
N 8.720384 0.521874 -0.266281
N 7.486028 2.359836 0.480515
N 9.960406 -1.334740 -1.018459
C -5.958055 0.363827 -0.535113
C -6.670047 1.380072 0.386005
C -7.290598 0.681339 1.597693
C -6.237476 0.685452 -2.018461
C -3.906968 -0.250569 0.748875
C -2.408948 -0.214134 0.781103
C 0.421705 -0.166281 0.930117
C -8.494147 -0.144159 1.206402
C -1.644403 -0.560963 -0.338943
C -1.780765 0.130000 1.985129
C 2.619228 0.721656 0.183412
C -0.251488 -0.544124 -0.255208
C -0.389164 0.166346 2.042699
C 3.975418 0.116120 -0.085763
C 6.275974 0.310098 -0.168366
C 4.088641 -1.252510 -0.570779
C 6.410968 -1.041231 -0.658075
C 7.503867 1.071483 0.016755
C 8.729558 -0.793976 -0.736497
H -6.333394 -0.678009 -0.311024
H -7.456821 1.930466 -0.171139
H -5.953719 2.154681 0.727824
H -7.564506 1.429376 2.368596
H -6.513652 0.025491 2.077338
H -3.945469 0.870173 -1.062814
H -2.128653 -0.866466 -1.272241
H -2.381018 0.365947 2.870131
H 2.724571 1.710028 0.693922
H 2.111881 0.931993 -0.786583
H 2.198489 -0.266098 1.978984
H -7.786075 0.615196 -3.401703
H -8.254188 0.094832 -1.816170
H 3.174509 -1.855254 -0.706946
H -9.958582 -1.371119 2.041156
H -8.840986 -0.784101 3.194870
H 6.611870 2.814883 0.698587
H 8.343929 2.876638 0.599035
H 10.031375 -2.281364 -1.360645
H 10.799917 -0.795344 -0.885680


%chk=000267612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267612

0 1
Cl 0.684171 0.119951 -1.892781
Cl 0.458391 -0.108561 3.737095
O -5.356325 0.337317 -2.868814
O -4.548130 -0.241512 1.895711
O -9.093797 -0.435228 -0.007392
N -4.561077 0.224448 -0.375271
N 1.879057 0.171941 1.094266
N -7.605644 -0.064899 -2.368061
N -9.409874 -0.663086 2.263002
N 5.285207 0.936328 0.215421
N 5.215667 -1.693724 -0.946167
N 7.590186 -1.679957 -1.100336
N 8.872468 0.285290 -0.302954
N 7.764486 2.153891 0.608841
N 9.917929 -1.587815 -1.216837
C -6.017658 0.124252 -0.503823
C -6.794734 1.254621 0.261476
C -7.528109 0.739493 1.514072
C -6.299502 0.142943 -2.032076
C -3.909392 -0.007631 0.808519
C -2.406687 0.034491 0.791668
C 0.494742 0.139412 0.941905
C -8.723347 -0.156372 1.181654
C -1.619686 0.136055 -0.382671
C -1.743831 -0.061230 2.040861
C 2.830486 1.027239 0.356348
C -0.219706 0.166002 -0.297645
C -0.352872 -0.003112 2.092168
C 4.111580 0.293017 -0.001125
C 6.429385 0.275344 -0.151766
C 4.103580 -1.024496 -0.578195
C 6.429857 -1.042698 -0.739245
C 7.727657 0.908448 0.050932
C 8.738576 -0.981584 -0.864093
H -6.348020 -0.855671 -0.104919
H -7.513651 1.744103 -0.418948
H -6.059910 2.018163 0.569117
H -7.893242 1.594230 2.117889
H -6.797570 0.185648 2.137086
H -4.091332 0.390146 -1.277694
H -2.069073 0.149967 -1.380150
H -2.351649 -0.166450 2.943901
H 3.108532 1.912479 0.962939
H 2.344854 1.401491 -0.558834
H 2.191620 -0.077294 2.038060
H -7.863723 -0.071162 -3.354355
H -8.307965 -0.218193 -1.619269
H 3.148150 -1.535261 -0.735895
H -10.211840 -1.271556 2.097860
H -9.110099 -0.480254 3.219231
H 6.878943 2.593974 0.859413
H 8.658057 2.616617 0.757652
H 9.885391 -2.515221 -1.632561
H 10.795770 -1.100938 -1.058514


