%chk=000198248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198248

0 1
Cl 4.601721 3.338904 0.401702
O -1.278795 1.399092 3.079980
N -3.165285 -0.447369 0.692111
N -0.542477 0.462932 1.101927
C -2.696034 -0.267654 2.098463
C -3.934162 -1.726348 0.527922
C -3.969655 0.744421 0.251860
C 1.281346 1.240777 -0.349240
C 0.674689 1.191711 0.935070
C 0.640009 0.621283 -1.561803
C -1.457018 0.631742 2.150273
C 0.764568 -0.880458 -1.597508
C -3.003120 -2.930489 0.661143
C -4.044620 0.787169 -1.274075
C 2.504136 1.906254 -0.496295
C 1.284210 1.837210 2.028786
C 3.093088 2.524057 0.607372
C 2.496296 2.506127 1.868389
C -0.361812 -1.671324 -1.869446
C 2.010017 -1.494028 -1.391623
C -0.237545 -3.061844 -1.946987
C 2.126096 -2.883838 -1.462568
C 1.003955 -3.670958 -1.743688
H -2.414888 -1.253878 2.540004
H -3.461466 0.163391 2.783996
H -4.780477 -1.813147 1.243282
H -4.380189 -1.719041 -0.493450
H -3.459992 1.665569 0.617423
H -4.992066 0.757143 0.687661
H 1.097202 1.031342 -2.492208
H -0.425056 0.938806 -1.622982
H -0.808690 -0.177324 0.337286
H -2.102283 -2.807763 0.042042
H -2.662932 -3.080837 1.692420
H -3.504162 -3.850601 0.341569
H -3.044853 0.726536 -1.722715
H -4.632832 -0.042729 -1.682709
H -4.506173 1.721324 -1.614551
H 2.993640 1.948236 -1.470028
H 0.797436 1.823186 3.012473
H 2.967453 3.005077 2.715709
H -1.336260 -1.208644 -2.021016
H 2.885508 -0.883930 -1.170361
H -1.111867 -3.671296 -2.170110
H 3.094244 -3.355531 -1.299485
H 1.098496 -4.752959 -1.804016


%chk=000198248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198248

0 1
Cl 4.707974 3.381256 0.152075
O -1.082301 1.175437 3.464653
N -3.002923 -0.458789 0.768755
N -0.611279 0.675219 1.194245
C -2.636137 -0.233858 2.191266
C -3.604887 -1.804039 0.518434
C -3.847571 0.669334 0.262911
C 1.183268 1.303604 -0.354403
C 0.631296 1.317230 0.966929
C 0.474023 0.639643 -1.526179
C -1.366518 0.630519 2.355490
C 0.537425 -0.894856 -1.579789
C -2.599075 -2.959043 0.672993
C -3.950548 0.736623 -1.271089
C 2.428502 1.937230 -0.575975
C 1.326386 1.973673 2.020450
C 3.102750 2.572117 0.482164
C 2.565069 2.602451 1.780413
C -0.313249 -1.592053 -2.477870
C 1.459230 -1.640087 -0.804460
C -0.237925 -2.995969 -2.607286
C 1.532550 -3.047583 -0.926386
C 0.687847 -3.731451 -1.829362
H -2.422456 -1.201974 2.678891
H -3.442620 0.250945 2.782947
H -4.488288 -1.970913 1.182340
H -3.981380 -1.807833 -0.519158
H -3.385759 1.605645 0.629491
H -4.871791 0.623322 0.707647
H 0.921630 1.027523 -2.461785
H -0.590098 0.953392 -1.561394
H -1.081882 0.141539 0.437542
H -1.737771 -2.815550 -0.001285
H -2.217736 -3.054050 1.705794
H -3.087594 -3.917035 0.416004
H -2.945067 0.764578 -1.728944
H -4.497718 -0.122050 -1.698039
H -4.490487 1.653753 -1.568794
H 2.865252 1.932540 -1.579774
H 0.880576 1.986968 3.017191
H 3.095369 3.105595 2.594010
H -1.033814 -1.029411 -3.086074
H 2.124117 -1.120081 -0.105904
H -0.898276 -3.515117 -3.311300
H 2.252447 -3.607066 -0.318315
H 0.748838 -4.821032 -1.927071


