%chk=000217504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217504

0 1
Cl -6.538554 3.376961 -0.251269
N -2.759324 2.055556 0.193782
N -0.682215 -0.508033 -2.135552
N 1.079246 -1.755813 1.555099
C -1.945672 1.679812 -2.124244
C -1.608563 2.264432 -0.741643
C -2.024338 0.144177 -2.112369
C -0.110435 -0.920963 -0.903948
C 1.191305 -0.430412 -0.522754
C -0.750050 -1.873045 -0.087528
C -3.868547 3.030805 -0.059544
C -2.329179 2.090236 1.633115
C 1.749200 -0.887617 0.721343
C -0.117143 -2.237758 1.163070
C 1.941808 0.485338 -1.301228
C 3.188362 0.937014 -0.893092
C 3.746127 0.468270 0.355330
C 3.030692 -0.423078 1.135460
C -1.978872 -2.547328 -0.437660
C -5.178688 2.258600 0.111103
C -1.539162 0.830691 1.979567
C -0.793554 -3.168439 2.053007
C 3.960830 1.873646 -1.689135
C 5.055666 0.956567 0.754074
C -2.568455 -3.432791 0.410850
C -1.973328 -3.732876 1.688855
C 5.180412 2.301733 -1.273625
C 5.738953 1.832681 -0.025444
H -2.921478 2.077567 -2.474025
H -1.203203 2.033541 -2.863978
H -0.713755 1.743348 -0.327306
H -1.323056 3.333264 -0.844898
H -2.567709 -0.217253 -3.015045
H -2.611626 -0.183452 -1.220932
H -0.028288 0.014507 -2.733566
H -3.810156 3.440695 -1.092674
H -3.847252 3.914837 0.614410
H -1.734319 2.996474 1.879679
H -3.245462 2.129537 2.264439
H 1.530466 0.838243 -2.249159
H 3.427532 -0.796879 2.082006
H -2.409270 -2.350536 -1.420894
H -5.317138 1.880540 1.140048
H -5.246635 1.401723 -0.584330
H -1.388117 0.743561 3.061287
H -0.547463 0.815951 1.510013
H -2.062720 -0.076385 1.643963
H -0.304875 -3.389072 3.003349
H 3.529833 2.216707 -2.628410
H 5.463514 0.592266 1.696627
H -3.490689 -3.944119 0.143829
H -2.492431 -4.432662 2.343892
H 5.769434 3.002820 -1.862533
H 6.721338 2.204711 0.263291


%chk=000217504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217504

0 1
Cl -7.032332 2.800059 0.146565
N -2.899692 2.412644 0.031833
N -0.705743 -0.191293 -1.794214
N 1.268459 -2.159862 1.484278
C -2.328648 1.625356 -2.291746
C -1.984289 2.578673 -1.122202
C -2.140933 0.134688 -1.932257
C -0.076766 -0.884222 -0.765871
C 1.277936 -0.502079 -0.395555
C -0.697681 -1.963567 -0.053670
C -4.237839 3.021965 -0.157791
C -2.294952 2.718145 1.359514
C 1.905632 -1.194518 0.735041
C 0.013588 -2.531828 1.095253
C 2.006525 0.528055 -1.046531
C 3.326240 0.873683 -0.670757
C 3.960715 0.161080 0.435420
C 3.232833 -0.842834 1.106883
C -1.949301 -2.567039 -0.439975
C -5.305775 2.022509 0.306685
C -1.296675 1.649802 1.840990
C -0.627544 -3.576207 1.857591
C 4.065317 1.914547 -1.341348
C 5.308155 0.520816 0.809215
C -2.516265 -3.600667 0.298941
C -1.860996 -4.092230 1.480388
C 5.361186 2.234481 -0.951432
C 5.989850 1.528064 0.136477
H -3.380518 1.776931 -2.603291
H -1.707700 1.888607 -3.174666
H -0.957256 2.362321 -0.775898
H -1.980826 3.630822 -1.498119
H -2.620601 -0.495297 -2.709317
H -2.646427 -0.052208 -0.969320
H -0.095533 0.364551 -2.395744
H -4.402814 3.255091 -1.225130
H -4.350005 3.978270 0.399309
H -1.802938 3.722240 1.352939
H -3.123706 2.782541 2.089632
H 1.565381 1.103963 -1.871300
H 3.671360 -1.388307 1.949056
H -2.444006 -2.243118 -1.358367
H -5.202047 1.755627 1.368803
H -5.323232 1.118096 -0.318123
H -0.926031 1.904304 2.850935
H -0.415963 1.567775 1.179722
H -1.780777 0.658619 1.884434
H -0.080170 -3.953157 2.726990
H 3.589171 2.450656 -2.171810
H 5.783639 -0.017412 1.637443
H -3.457854 -4.054754 -0.028374
H -2.326281 -4.894091 2.064570
H 5.915113 3.024881 -1.469682
H 7.012013 1.793131 0.428284


