%chk=000291978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291978

0 1
Cl 7.945610 0.447036 -0.861516
O -2.443242 1.837362 2.013825
N -4.891925 1.151249 0.505454
N 1.259516 -0.962457 0.050499
N 2.215341 1.200343 0.453659
C -3.481894 1.022995 0.022615
C -2.958494 2.305066 -0.656302
C -3.896041 2.737022 -1.789975
C -2.614983 0.626146 1.249704
C -5.345766 2.865509 -1.302592
C -5.800759 1.573597 -0.599958
C -1.269144 0.069335 0.825732
C -1.156978 -1.306797 0.425097
C -0.159976 0.874447 0.826061
C 0.133051 -1.774264 0.045747
C -2.255464 -2.216588 0.386543
C 1.116098 0.320402 0.427379
C -2.076977 -3.523604 -0.009500
C 0.303521 -3.139687 -0.363654
C -0.773437 -3.983965 -0.388636
C -3.216393 -4.488286 -0.055771
C 3.574344 0.941432 0.118134
C 4.454767 2.047579 0.217887
C 4.066221 -0.313447 -0.287606
C 5.805322 1.892910 -0.085131
C 5.419240 -0.462423 -0.589999
C 6.272247 0.638601 -0.485931
H -3.455479 0.175912 -0.714495
H -1.937132 2.137615 -1.044249
H -2.864932 3.112147 0.098852
H -3.843420 2.005999 -2.620306
H -3.553436 3.700913 -2.211271
H -3.159777 -0.108145 1.893594
H -5.434534 3.724347 -0.610591
H -6.015202 3.089761 -2.152716
H -6.819598 1.697193 -0.175545
H -5.863434 0.740339 -1.333684
H -4.923001 1.853402 1.259378
H -0.243675 1.922338 1.116157
H -2.064278 1.627806 2.891665
H -3.245545 -1.860764 0.674964
H 1.303438 -3.470611 -0.648645
H -0.656576 -5.022840 -0.697999
H 2.005034 2.159142 0.740717
H -3.046450 -5.338680 0.620439
H -4.172026 -4.032521 0.236293
H -3.352829 -4.897303 -1.067348
H 4.088777 3.023210 0.529582
H 3.399699 -1.179244 -0.370567
H 6.488449 2.739472 -0.010646
H 5.805923 -1.432701 -0.905143


%chk=000291978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291978

0 1
Cl 8.130484 0.547654 -0.803495
O -2.458488 1.865647 2.056707
N -4.881930 1.332879 0.615373
N 1.284364 -0.982211 0.025004
N 2.233409 1.167557 0.457484
C -3.533799 1.034142 0.059592
C -2.956857 2.187617 -0.807539
C -3.969132 2.581668 -1.912317
C -2.620365 0.637214 1.247149
C -5.351815 2.925483 -1.307346
C -5.854873 1.751045 -0.426469
C -1.277044 0.053778 0.822406
C -1.160577 -1.328619 0.402437
C -0.136269 0.847051 0.829523
C 0.154628 -1.790368 0.013032
C -2.259332 -2.245952 0.358892
C 1.135603 0.297277 0.422533
C -2.094458 -3.576871 -0.052278
C 0.309717 -3.148938 -0.405755
C -0.784085 -4.015381 -0.437886
C -3.261555 -4.546365 -0.094255
C 3.596540 0.956818 0.143536
C 4.474936 2.069226 0.291764
C 4.125611 -0.286928 -0.301980
C 5.848781 1.951188 0.006427
C 5.502666 -0.404715 -0.587493
C 6.347924 0.709005 -0.431525
H -3.637196 0.138597 -0.587861
H -1.997322 1.877592 -1.264207
H -2.750599 3.057001 -0.153631
H -4.083781 1.736074 -2.622850
H -3.577570 3.436401 -2.496052
H -3.185355 -0.109681 1.842300
H -5.267980 3.840464 -0.685446
H -6.085543 3.139364 -2.109602
H -6.806875 2.010229 0.072633
H -6.055061 0.873629 -1.075118
H -4.789235 2.047240 1.354779
H -0.220674 1.894115 1.141508
H -2.089644 1.616834 2.941040
H -3.259572 -1.907726 0.653280
H 1.311680 -3.478666 -0.697186
H -0.645733 -5.054372 -0.761975
H 2.007532 2.115314 0.764703
H -3.090669 -5.409592 0.576846
H -4.203936 -4.062304 0.213809
H -3.408543 -4.954057 -1.112437
H 4.084046 3.036582 0.633155
H 3.447496 -1.133639 -0.414977
H 6.516008 2.809734 0.123125
H 5.908243 -1.361732 -0.929157


