%chk=000200544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200544

0 1
Cl 6.723852 -0.206871 -2.529460
O -3.625666 0.705766 -0.059910
O -8.369120 1.047634 -0.477696
O -8.739722 -1.359879 0.152567
N 2.499935 0.795605 0.406574
N 5.328800 0.336482 0.035686
C 3.514290 1.848248 0.747634
C 3.010651 -0.042245 -0.729003
C 4.830323 1.167282 1.178604
C 4.325354 -0.726889 -0.307206
C 1.178896 1.421302 0.067369
C 0.071424 0.368888 0.254100
C 6.666580 -0.175734 0.195161
C -1.310429 0.986256 0.027561
C -2.410609 -0.053982 0.229422
C 7.420773 -0.435922 -0.970150
C 7.295049 -0.358631 1.442085
C 8.746451 -0.866198 -0.902629
C 8.624638 -0.779584 1.511805
C 9.351480 -1.037250 0.345767
C -4.833270 0.051431 0.036102
C -5.922955 0.905454 -0.271535
C -5.009603 -1.281737 0.387683
C -7.202396 0.379326 -0.215574
C -6.319063 -1.805314 0.440760
C -7.404494 -0.998522 0.146362
C -8.262822 2.445140 -0.852220
C -9.040313 -2.728301 0.512526
H 3.123756 2.449670 1.596057
H 3.714475 2.546056 -0.095097
H 3.178790 0.545325 -1.658874
H 2.251069 -0.819428 -0.960132
H 4.655985 0.572286 2.102197
H 5.590061 1.944445 1.410312
H 4.710345 -1.343151 -1.146879
H 4.139134 -1.411911 0.549459
H 1.144926 1.841629 -0.960343
H 0.995968 2.271174 0.761325
H 0.145993 -0.060122 1.274625
H 0.232952 -0.480305 -0.438102
H -1.480603 1.839892 0.715196
H -1.391299 1.414678 -0.992464
H -2.464808 -0.424858 1.266567
H -2.343568 -0.893957 -0.481822
H 6.743818 -0.179038 2.363276
H 9.306321 -1.059160 -1.818540
H 9.096242 -0.912720 2.485221
H 10.386323 -1.368215 0.406266
H -5.717801 1.936698 -0.538709
H -4.176412 -1.931894 0.622529
H -6.452808 -2.848511 0.716104
H -9.317645 2.712656 -0.997623
H -7.698339 2.547517 -1.783277
H -7.817955 3.024253 -0.038152
H -10.135984 -2.737065 0.440393
H -8.714941 -2.936613 1.535368
H -8.596332 -3.420887 -0.207668


%chk=000200544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200544

0 1
Cl 6.605819 -0.713029 -2.564441
O -3.714193 0.866475 -0.152691
O -8.565009 1.111746 -0.399405
O -8.841292 -1.464578 0.170598
N 2.533005 0.742336 0.435355
N 5.362920 0.163763 0.203251
C 3.562553 1.745169 0.802461
C 3.048198 -0.131738 -0.648870
C 4.856450 1.053969 1.269183
C 4.338375 -0.836055 -0.203201
C 1.225365 1.367047 0.116137
C 0.048782 0.370639 0.175675
C 6.727152 -0.216670 0.233686
C -1.310209 1.072934 -0.046671
C -2.482025 0.096473 0.079002
C 7.429057 -0.675149 -0.923143
C 7.504625 -0.112062 1.429241
C 8.784517 -1.044762 -0.894908
C 8.871437 -0.453713 1.466085
C 9.519721 -0.937037 0.308203
C -4.938018 0.175496 -0.049269
C -6.089416 0.973824 -0.273056
C -5.069242 -1.194475 0.250653
C -7.374707 0.406239 -0.195461
C -6.367015 -1.763377 0.328967
C -7.521869 -0.988091 0.112383
C -8.449377 2.536253 -0.715930
C -9.014204 -2.880579 0.489538
H 3.172115 2.368364 1.628762
H 3.810019 2.420815 -0.055629
H 3.257651 0.453286 -1.579987
H 2.291193 -0.899522 -0.887292
H 4.640112 0.490928 2.207866
H 5.617558 1.823599 1.488137
H 4.726400 -1.452612 -1.027432
H 4.105548 -1.502609 0.658688
H 1.239170 1.869099 -0.886593
H 1.045609 2.161576 0.866967
H 0.069577 -0.125821 1.165539
H 0.178158 -0.424722 -0.585257
H -1.444927 1.884431 0.694392
H -1.342140 1.542873 -1.048552
H -2.508808 -0.358100 1.092156
H -2.403961 -0.719057 -0.671421
H 7.013032 0.223315 2.347456
H 9.266294 -1.385758 -1.816258
H 9.424638 -0.358046 2.406937
H 10.578141 -1.214646 0.327696
H -5.940959 2.031655 -0.503856
H -4.197311 -1.830168 0.424173
H -6.458560 -2.828049 0.563317
H -9.485189 2.885811 -0.836158
H -7.887811 2.696040 -1.657344
H -7.958417 3.093671 0.105971
H -10.102133 -3.042961 0.487990
H -8.601774 -3.124653 1.489105
H -8.538928 -3.529590 -0.273145


