%chk=000239933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239933

0 1
Cl 2.769795 -3.141354 1.448158
N -0.222947 1.204135 -2.318996
N 1.956833 -0.344268 1.055524
N -4.165327 -0.154746 1.442085
C 0.900978 1.512261 -0.154382
C 0.793549 2.996675 0.024796
C 1.421756 3.306022 1.406827
C 2.033653 1.992612 1.944068
C 1.646337 0.939825 0.942313
C 0.444444 0.695954 -1.168905
C 0.774698 -0.722784 -1.089468
C -1.414989 2.073450 -2.120566
C 1.528652 -1.183032 0.028122
C -2.708695 1.309120 -1.792300
C -2.762460 0.856111 -0.330111
C -4.043708 0.054986 -0.039755
C 0.372837 -1.667744 -2.078272
C 1.857853 -2.577007 0.108437
C 0.704507 -2.997858 -1.969732
C 1.460790 -3.465824 -0.861937
C -3.192476 -1.179205 1.925745
C -5.558553 -0.566175 1.792937
H 1.334995 3.520780 -0.787078
H -0.260664 3.336993 -0.030502
H 2.190361 4.091304 1.321075
H 0.656923 3.689329 2.103142
H 1.657781 1.739586 2.953591
H 3.134886 2.055884 2.039334
H -0.418868 0.477079 -3.019958
H -1.543292 2.645184 -3.069054
H -1.206579 2.831339 -1.327226
H -2.823501 0.438150 -2.465545
H -3.575396 1.965344 -2.010845
H -1.871306 0.245923 -0.081350
H -2.716388 1.732071 0.349201
H -4.044159 -0.893303 -0.616972
H -4.928143 0.636141 -0.381146
H -0.206001 -1.320984 -2.936033
H 0.395569 -3.714035 -2.729951
H 1.717428 -4.523554 -0.795123
H -3.324063 -2.183717 1.499043
H -3.268559 -1.255033 3.022226
H -2.167360 -0.840908 1.700091
H -5.898021 -1.503193 1.329058
H -6.253528 0.239065 1.506873
H -5.632138 -0.677897 2.886960


%chk=000239933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239933

0 1
Cl 5.251742 -2.420967 -0.147497
N -0.637155 0.204338 -1.397999
N 3.321408 -0.149185 0.280460
N -5.343291 0.535616 1.419884
C 1.183182 1.083112 0.043730
C 0.576812 2.330663 0.677363
C 1.527777 2.634428 1.880991
C 2.898072 2.019234 1.483160
C 2.510282 0.886835 0.547955
C 0.644720 0.135458 -0.851918
C 1.488756 -1.018545 -1.184515
C -1.413371 1.415139 -1.729653
C 2.807125 -1.109542 -0.575653
C -2.930565 1.178508 -1.557385
C -3.357122 0.949892 -0.090739
C -4.850372 0.581855 0.022545
C 1.070388 -2.047533 -2.086618
C 3.604251 -2.260312 -0.895763
C 1.888053 -3.146347 -2.368187
C 3.171298 -3.263287 -1.761741
C -4.724771 -0.540634 2.221305
C -6.818718 0.475282 1.477838
H 0.574831 3.184905 -0.032030
H -0.466460 2.180684 1.011940
H 1.587585 3.714102 2.100987
H 1.145505 2.126984 2.785713
H 3.489961 1.655704 2.339205
H 3.527534 2.751247 0.938168
H -0.950712 -0.627316 -1.900570
H -1.205888 1.722516 -2.778550
H -1.091111 2.245415 -1.085955
H -3.236437 0.307316 -2.176789
H -3.465394 2.055114 -1.974866
H -2.722753 0.152641 0.340510
H -3.179095 1.867780 0.503909
H -5.028176 -0.392664 -0.510937
H -5.446393 1.348781 -0.511560
H 0.102992 -1.992060 -2.599907
H 1.551382 -3.920878 -3.064828
H 3.815541 -4.120661 -1.976038
H -4.918989 -1.563815 1.806048
H -5.126254 -0.508124 3.249725
H -3.633121 -0.397645 2.283449
H -7.245393 -0.459010 1.029511
H -7.248770 1.339026 0.939700
H -7.151387 0.528655 2.530002


