%chk=000189363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189363

0 1
Cl 2.193909 -3.992899 -1.286984
N 2.043437 0.457345 1.029687
N -2.034163 -1.815211 0.154422
N -0.009369 -0.611684 0.631194
N -0.005855 -2.798840 -0.490180
N 2.102534 -1.650834 -0.101626
C 3.857475 1.290758 -0.476512
C 3.522001 0.640656 0.899078
C -2.966479 -0.785169 0.733670
C -2.817046 0.543811 -0.014639
C 3.315211 2.715042 -0.614331
C 5.370882 1.254262 -0.711493
C 3.998756 1.449939 2.105844
C -2.687044 -0.672341 2.238137
C -4.397527 -1.307677 0.497682
C 1.376696 -0.616636 0.501052
C -0.664838 -1.710173 0.116214
C -2.929410 1.767079 0.659751
C -2.619155 0.546992 -1.405086
C -2.838599 2.973296 -0.042674
C -2.525490 1.752688 -2.104116
C -2.635823 2.970244 -1.424963
C 1.344010 -2.688124 -0.552089
H 3.371268 0.652789 -1.262974
H 4.001164 -0.380231 0.926017
H 3.538328 3.122214 -1.607948
H 2.227164 2.747694 -0.492743
H 3.757865 3.396685 0.119286
H 5.915086 1.876759 0.006184
H 5.764838 0.233501 -0.638124
H 5.619320 1.622627 -1.713862
H 3.760440 0.943022 3.049488
H 3.558431 2.452705 2.144997
H 5.088332 1.579202 2.072376
H -2.674261 -1.655913 2.721785
H -3.440775 -0.065162 2.748442
H -1.702208 -0.213685 2.424497
H -4.588455 -2.249527 1.023783
H -4.615272 -1.459804 -0.566448
H -5.133054 -0.579800 0.865296
H 1.492736 1.234654 1.395010
H -2.444291 -2.674945 -0.221445
H -3.083549 1.794228 1.737126
H -2.527992 -0.392343 -1.949687
H -2.925518 3.917059 0.492403
H -2.364789 1.742668 -3.180876
H -2.563619 3.908678 -1.970221


%chk=000189363-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189363

0 1
Cl 2.276780 -3.995123 -1.302854
N 2.030803 0.498667 0.990748
N -1.993901 -1.776863 0.121753
N -0.003698 -0.591672 0.630320
N 0.021357 -2.751213 -0.517102
N 2.110268 -1.597384 -0.089971
C 3.945729 1.167727 -0.496145
C 3.499299 0.688115 0.925639
C -2.950983 -0.807491 0.726223
C -2.821739 0.580371 0.050820
C 3.384708 2.557716 -0.874261
C 5.485053 1.123906 -0.636788
C 3.918615 1.621311 2.079152
C -2.737418 -0.763534 2.262347
C -4.369736 -1.368048 0.417970
C 1.366291 -0.584281 0.497214
C -0.630436 -1.676220 0.095806
C -3.031160 1.782759 0.769414
C -2.573854 0.664452 -1.343525
C -2.988142 3.035523 0.115180
C -2.527262 1.912420 -1.999967
C -2.736384 3.107593 -1.272894
C 1.354133 -2.615055 -0.542832
H 3.526669 0.420079 -1.198842
H 3.951095 -0.310185 1.079468
H 3.637270 2.799408 -1.923069
H 2.283018 2.591758 -0.782583
H 3.812184 3.357988 -0.240496
H 5.977400 1.892132 -0.011064
H 5.886770 0.134216 -0.348827
H 5.781464 1.312810 -1.684801
H 3.637144 1.184327 3.053806
H 3.441919 2.616287 1.994924
H 5.010913 1.771830 2.078477
H -2.781940 -1.790147 2.666499
H -3.527322 -0.172776 2.758095
H -1.753343 -0.330174 2.502671
H -4.509069 -2.362574 0.883221
H -4.534921 -1.451632 -0.671475
H -5.136212 -0.687150 0.823107
H 1.442166 1.235287 1.385443
H -2.358458 -2.646219 -0.274302
H -3.218123 1.755565 1.847481
H -2.394472 -0.254470 -1.913903
H -3.150132 3.953988 0.691230
H -2.325729 1.953438 -3.076510
H -2.701311 4.078139 -1.780398


