%chk=000198196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198196

0 1
Cl -3.405546 -5.417223 1.284230
N -1.911859 0.297598 -1.406161
N 1.873944 1.576587 0.083506
N -3.673606 -1.463804 0.555057
N 3.723495 -0.281917 1.068146
C -0.679028 0.755933 -0.874955
C 0.235989 -0.183566 -0.334976
C -3.182805 0.960814 -1.009215
C -0.286906 2.131849 -0.966536
C -3.435332 1.024532 0.507655
C 1.522688 0.280212 0.118549
C 0.997234 2.491136 -0.450131
C -3.115970 -0.271745 1.267839
C 2.483533 -0.708404 0.662211
C -0.084057 -1.591403 -0.208498
C 2.103303 -2.073907 0.746659
C 0.789046 -2.488358 0.303845
C -1.066286 3.167547 -1.579206
C 1.433037 3.865143 -0.487630
C -0.626162 4.462420 -1.621256
C 3.036235 -3.003315 1.267578
C -3.434583 -2.724681 1.323585
C 0.638445 4.819526 -1.055213
C 4.283085 -2.565081 1.675821
C 4.588000 -1.185400 1.556802
C -3.767159 -3.899250 0.402813
H -3.206630 1.993439 -1.436404
H -4.001980 0.394318 -1.510229
H -4.489188 1.318778 0.678811
H -2.821770 1.839710 0.947827
H -2.026490 -0.730923 -1.323631
H -3.483503 -0.179657 2.314055
H -2.009825 -0.402269 1.339497
H -1.075294 -1.920185 -0.543050
H 0.533841 -3.543439 0.394018
H -2.026225 2.899236 -2.032742
H -4.681597 -1.335652 0.407625
H 2.411204 4.095329 -0.058856
H -1.221950 5.241697 -2.092250
H -4.021897 -2.791300 2.266108
H -2.361032 -2.772819 1.623636
H 2.763121 -4.055770 1.340116
H 0.952847 5.862105 -1.095957
H 5.021871 -3.253029 2.079236
H 5.566682 -0.799232 1.867575
H -4.833036 -3.924842 0.112113
H -3.155983 -3.886339 -0.520217


%chk=000198196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198196

0 1
Cl -3.693070 -5.641380 0.230068
N -2.005829 0.436906 -0.655035
N 2.079500 1.616498 -0.097143
N -3.874948 -1.513338 0.485009
N 3.972192 -0.180994 0.838480
C -0.669982 0.814053 -0.555061
C 0.308491 -0.119228 -0.052950
C -3.187850 1.256132 -0.320314
C -0.206052 2.115185 -0.976515
C -3.775291 0.932800 1.094061
C 1.675782 0.342181 0.145169
C 1.166786 2.477306 -0.662295
C -3.584201 -0.527028 1.564892
C 2.675203 -0.613708 0.665491
C -0.033230 -1.482457 0.287021
C 2.275190 -1.966022 0.968696
C 0.904744 -2.372901 0.771021
C -0.993928 3.037241 -1.747010
C 1.631175 3.796263 -0.994575
C -0.497814 4.294678 -2.094618
C 3.266683 -2.867393 1.461105
C -3.810134 -2.931170 0.922102
C 0.815644 4.693084 -1.682441
C 4.581738 -2.419572 1.635157
C 4.881947 -1.064944 1.309098
C -3.756565 -3.835326 -0.314232
H -2.931424 2.324644 -0.353295
H -3.964174 1.081695 -1.090894
H -4.853105 1.193179 1.084271
H -3.300252 1.582804 1.852586
H -2.241332 -0.559227 -0.536614
H -4.209674 -0.697546 2.471756
H -2.531900 -0.679888 1.871699
H -1.059812 -1.842115 0.146656
H 0.620291 -3.404984 1.009478
H -1.970389 2.724154 -2.129176
H -4.774704 -1.307149 0.025500
H 2.659721 4.040059 -0.711678
H -1.105112 4.972312 -2.704913
H -4.661695 -3.231034 1.573421
H -2.886711 -3.067020 1.514518
H 2.985525 -3.900673 1.696411
H 1.188570 5.689719 -1.943534
H 5.368162 -3.082236 2.010059
H 5.901472 -0.679538 1.433310
H -4.656315 -3.749253 -0.943569
H -2.851422 -3.660371 -0.913375


