%chk=000222130.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222130

0 1
Cl 6.459238 -2.485516 1.325694
O -1.675657 3.540186 -0.744625
N -3.537150 -0.763747 -0.576882
N -0.126425 -1.188307 -0.134281
N 3.093998 1.288940 0.983376
C -3.731871 -2.105214 -1.231098
C -4.457975 0.256897 -1.189170
C -3.702894 -0.783144 0.914153
C -4.169364 1.655518 -0.623539
C -3.363226 0.594103 1.504362
C -4.265344 1.679677 0.905773
C -2.361985 -2.811131 -1.386703
C -1.637858 -3.159411 -0.081585
C -4.768740 -3.025384 -0.571956
C -0.184955 -2.667658 -0.049204
C 0.997139 -0.424223 0.050038
C 0.816632 1.016168 0.087124
C 2.315128 -0.937420 0.256808
C 1.891134 1.813280 0.575412
C 3.304330 -0.034476 0.801243
C -0.376920 1.665062 -0.349418
C 2.747393 -2.264288 -0.074333
C 1.738718 3.246784 0.659470
C 4.610640 -0.548270 1.170965
C -0.469114 3.038481 -0.279403
C 3.996852 -2.723545 0.234068
C 0.588397 3.850787 0.239521
C 4.910318 -1.843827 0.896100
C -1.825948 4.975634 -0.823520
H -4.089418 -1.909174 -2.283219
H -5.528743 0.002921 -1.033980
H -4.277289 0.262881 -2.286277
H -3.005784 -1.553389 1.326543
H -4.729039 -1.073460 1.227699
H -3.151465 1.984297 -0.932968
H -4.870612 2.385173 -1.066561
H -3.470617 0.563656 2.603881
H -2.300490 0.842176 1.306318
H -3.962798 2.674207 1.285029
H -5.312146 1.528349 1.227973
H -1.721590 -2.164663 -2.022917
H -2.515461 -3.734898 -1.978505
H -1.644590 -4.255874 0.074587
H -2.188142 -2.737862 0.794315
H -4.437394 -3.404561 0.399943
H -5.723558 -2.510419 -0.418615
H -4.969760 -3.900241 -1.200645
H 0.395337 -3.117533 -0.893230
H 0.304534 -3.001805 0.898535
H -1.032083 -0.721549 -0.320490
H -1.214433 1.087127 -0.750421
H 2.070210 -2.915876 -0.633077
H 2.579040 3.819131 1.060197
H 5.311527 0.139910 1.647375
H 4.320653 -3.729272 -0.022150
H 0.472252 4.930000 0.296016
H -2.830776 5.072010 -1.254864
H -1.786503 5.418318 0.175684
H -1.073052 5.404165 -1.491268


%chk=000222130-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222130

0 1
Cl 6.993908 -2.533906 0.698027
O -1.569499 3.551027 -0.140439
N -3.894161 -0.839195 -0.525907
N 0.151682 -1.218036 -0.248567
N 3.532310 1.298742 0.618626
C -3.851952 -2.273013 -1.006590
C -4.605149 0.052985 -1.487462
C -4.378140 -0.609478 0.863699
C -4.426658 1.542332 -1.131421
C -4.161777 0.858279 1.288747
C -4.879210 1.822889 0.318765
C -2.378668 -2.747050 -1.141672
C -1.606488 -2.877637 0.196826
C -4.720347 -3.274490 -0.202726
C -0.088374 -2.649100 0.030144
C 1.280974 -0.451014 -0.013384
C 1.108879 0.989713 0.093597
C 2.614964 -0.981727 0.129965
C 2.272332 1.802564 0.405719
C 3.692297 -0.050114 0.476104
C -0.154767 1.641378 -0.071126
C 2.977649 -2.359121 -0.090193
C 2.108466 3.224107 0.519742
C 5.030498 -0.555647 0.664662
C -0.272790 3.030418 0.045660
C 4.282051 -2.821164 0.069068
C 0.873087 3.839513 0.343358
C 5.295765 -1.897850 0.469368
C -1.746562 5.000797 -0.028546
H -4.264519 -2.262736 -2.036796
H -5.701614 -0.184631 -1.517220
H -4.200486 -0.135502 -2.499415
H -3.836694 -1.278669 1.555488
H -5.468286 -0.847952 0.964999
H -3.362562 1.824598 -1.238277
H -5.006730 2.155786 -1.848467
H -4.535431 0.993622 2.322469
H -3.077981 1.082913 1.293842
H -4.662764 2.872551 0.591892
H -5.977264 1.680742 0.402290
H -1.868398 -2.013380 -1.796174
H -2.352606 -3.717857 -1.678590
H -1.768130 -3.879075 0.637316
H -1.984375 -2.137861 0.927667
H -4.365696 -3.404980 0.834564
H -5.776790 -2.953507 -0.163772
H -4.686928 -4.264820 -0.693331
H 0.280009 -3.290344 -0.797538
H 0.451131 -2.942303 0.951102
H -0.714082 -0.697765 -0.412155
H -1.080695 1.098828 -0.294003
H 2.230722 -3.078402 -0.425724
H 3.007116 3.803042 0.752700
H 5.802038 0.165641 0.943666
H 4.534185 -3.868907 -0.115678
H 0.786750 4.926067 0.436183
H -2.816896 5.172300 -0.216536
H -1.484550 5.363985 0.984135
H -1.146495 5.542117 -0.785387


