%chk=000213691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213691

0 1
Cl 4.988113 1.784780 -1.946206
Cl -2.282700 0.908333 2.470636
O -0.017081 3.435672 -1.218273
O 1.005238 -0.667012 1.624829
O -2.345226 3.302892 0.159985
O -5.093871 -3.162148 -1.345610
O -4.938477 -3.294945 0.810668
N 0.428057 1.852461 0.534309
N 3.308146 -2.025232 1.131671
N -4.736442 -2.747565 -0.257494
C 1.677089 1.185121 0.216496
C -0.383495 2.185561 -0.656580
C 1.892740 -0.062919 0.798201
C 3.121813 -0.787818 0.537527
C 4.094275 -0.202190 -0.322858
C 2.654681 1.757357 -0.647215
C -1.860439 2.254283 -0.176482
C 3.817639 1.077974 -0.899184
C -2.600275 0.951973 -0.203636
C 5.296804 -0.938708 -0.559948
C -2.845402 0.257213 0.988406
C -3.058803 0.429026 -1.419136
C -3.989432 -1.457990 -0.234245
C 5.471999 -2.162977 0.035344
C -3.539751 -0.954858 0.992842
C -3.758221 -0.780227 -1.439647
C 4.439889 -2.678549 0.884890
H -0.230297 1.458873 -1.493776
H 0.604525 2.689007 1.112312
H 2.447006 2.732091 -1.102866
H 6.065501 -0.519354 -1.213083
H -2.879749 0.967898 -2.353155
H -3.732270 -1.500744 1.926588
H -4.125985 -1.202188 -2.383546
H 6.374860 -2.750558 -0.122302
H 4.562779 -3.657145 1.368342
H -0.416091 4.198653 -0.727203
H 0.188052 -0.091541 1.764197


%chk=000213691-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213691

0 1
Cl 4.905756 1.692872 -2.461306
Cl -2.980402 0.928500 2.773782
O -0.076043 3.383006 -1.186333
O 1.294853 -0.657956 1.784006
O -2.118328 3.146755 0.697859
O -5.448829 -2.968059 -1.652413
O -5.837837 -2.954093 0.597048
N 0.505479 1.634009 0.469181
N 3.751538 -1.877266 1.305370
N -5.275100 -2.493425 -0.466721
C 1.783555 1.053359 0.134098
C -0.387830 2.082066 -0.606018
C 2.150814 -0.110082 0.843794
C 3.415687 -0.748279 0.580775
C 4.281973 -0.190905 -0.448484
C 2.631058 1.595365 -0.879382
C -1.782382 2.109343 0.061078
C 3.841160 0.972297 -1.156156
C -2.641705 0.883005 -0.023880
C 5.527315 -0.857347 -0.686172
C -3.289877 0.305602 1.100669
C -2.869295 0.300635 -1.301434
C -4.357896 -1.327490 -0.318369
C 5.854034 -1.993144 0.055531
C -4.144862 -0.801320 0.971848
C -3.733138 -0.797037 -1.465304
C 4.931640 -2.468936 1.040839
H -0.311655 1.359756 -1.431771
H 0.491590 2.248804 1.295080
H 2.315683 2.499292 -1.408630
H 6.204410 -0.462728 -1.449515
H -2.387840 0.738686 -2.181788
H -4.634879 -1.257226 1.835568
H -3.927402 -1.240496 -2.444506
H 6.798515 -2.521743 -0.104748
H 5.165731 -3.361129 1.633450
H -0.477033 4.084026 -0.601862
H 0.436742 -0.144219 1.729615


