%chk=000249307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249307

0 1
Cl 2.847640 3.911661 1.090292
O 2.332302 1.074490 -1.629766
O -3.549813 2.841943 -0.607247
N 8.839062 -2.159822 0.824398
N -7.977600 -3.429901 -0.446235
N 7.818011 -3.406895 -0.864842
N -9.196956 -1.461625 -0.146091
N 3.055610 0.862376 0.556072
N -3.062314 0.793428 0.346255
C 9.890042 -3.137499 0.378511
C -9.414406 -3.837307 -0.615848
C 7.694040 -2.395331 -0.044461
C -8.003018 -1.988502 -0.239339
C 9.178269 -3.987242 -0.716857
C -10.213705 -2.522266 -0.370331
C 6.500249 -1.548587 0.100908
C -6.731006 -1.264569 -0.093358
C 5.715732 -1.250670 -1.026081
C 6.125914 -1.053016 1.361432
C -6.626530 0.059951 -0.550622
C -5.625991 -1.879353 0.519452
C 4.216837 0.048966 0.354888
C -4.324179 0.136348 0.181336
C 4.580979 -0.450286 -0.906951
C 4.993019 -0.255210 1.495254
C -5.428625 0.760738 -0.422056
C -4.424581 -1.189678 0.657571
C 1.058502 2.168494 0.069136
C -1.335000 2.507187 0.231229
C -0.248817 1.745160 -0.210526
C 2.199870 1.341158 -0.454683
C -2.749996 2.103368 -0.073198
C 1.249447 3.370203 0.760073
C -1.127729 3.714562 0.917847
C 0.170919 4.150123 1.187211
H 10.802292 -2.643738 0.002452
H 10.171800 -3.755702 1.254775
H -9.620638 -4.277363 -1.606442
H -9.642940 -4.602774 0.153085
H 9.088180 -5.051808 -0.420534
H 9.699931 -3.959243 -1.693057
H -10.864982 -2.595274 0.523948
H -10.857854 -2.241377 -1.225927
H 9.156645 -1.193997 0.878834
H -7.356070 -3.756339 -1.183692
H 5.995292 -1.657050 -2.002909
H 6.722702 -1.302826 2.242321
H -7.495711 0.545993 -1.004372
H -5.713288 -2.901127 0.897655
H 3.980849 -0.217895 -1.794232
H 4.715464 0.122103 2.476460
H -5.357286 1.792046 -0.786561
H -3.578427 -1.678076 1.134507
H 2.882405 1.154771 1.522439
H -2.342175 0.250881 0.830170
H -0.405064 0.830205 -0.791326
H -1.986804 4.317711 1.229253
H 0.342801 5.091685 1.713081


%chk=000249307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249307

0 1
Cl 2.906910 4.059059 1.242953
O 1.515181 -0.302171 0.009473
O -3.790751 3.033912 0.467520
N 9.180665 -1.925732 0.062220
N -8.168642 -3.338546 -0.936791
N 7.762860 -3.741533 -0.071191
N -9.319760 -1.447300 -0.284626
N 3.324816 1.059937 0.579072
N -3.166649 0.777752 0.290306
C 10.121909 -3.029986 -0.247999
C -9.575845 -3.724556 -1.206073
C 7.865093 -2.427068 0.047791
C -8.136521 -1.997577 -0.507473
C 9.162815 -4.275578 -0.151099
C -10.345508 -2.502616 -0.578030
C 6.698679 -1.528766 0.190989
C -6.854998 -1.289571 -0.297814
C 5.398842 -2.022710 -0.092533
C 6.834894 -0.178774 0.609926
C -6.853975 0.121752 -0.146890
C -5.615345 -1.979354 -0.237066
C 4.408056 0.147950 0.433192
C -4.423729 0.140190 0.098008
C 4.259847 -1.206394 0.021535
C 5.705290 0.649486 0.729147
C -5.661622 0.840639 0.047472
C -4.414636 -1.274209 -0.041929
C 1.002808 1.980493 0.617759
C -1.436223 2.496489 0.621540
C -0.359433 1.603790 0.446520
C 1.976578 0.826873 0.376012
C -2.895132 2.133049 0.450242
C 1.228222 3.336417 0.973806
C -1.153992 3.841670 0.969853
C 0.175562 4.259378 1.145098
H 10.553324 -2.917525 -1.263520
H 10.949605 -3.077004 0.481271
H -9.765649 -3.817478 -2.294941
H -9.835944 -4.681990 -0.721579
H 9.367045 -4.868407 0.760698
H 9.258347 -4.953531 -1.017249
H -10.840894 -2.786154 0.370069
H -11.121276 -2.097905 -1.251292
H 9.403548 -0.957120 -0.162701
H -7.393596 -3.773350 -1.435812
H 5.305021 -3.067848 -0.403354
H 7.817447 0.224338 0.879121
H -7.816313 0.641710 -0.183081
H -5.582256 -3.072283 -0.306258
H 3.264430 -1.592364 -0.200106
H 5.825810 1.688194 1.061558
H -5.668272 1.925439 0.161140
H -3.465266 -1.823059 0.008781
H 3.590980 2.006155 0.871960
H -2.368232 0.140717 0.327023
H -0.483055 0.555721 0.145785
H -1.990790 4.536114 1.090867
H 0.403019 5.294438 1.414005


