%chk=000194947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194947

0 1
O -2.600670 2.271352 0.816047
O -1.461837 -0.873112 -2.302208
O -4.955250 -1.932162 0.001115
O 0.649398 -1.725795 1.490698
O 4.984558 -0.376170 -0.176255
N -1.825663 1.892054 -1.307689
N -1.740974 -0.898129 -0.042872
N 4.108490 2.080662 1.380024
N -5.102961 -1.929812 2.257138
C -0.247965 3.700636 -0.527708
C 1.080858 2.985221 -0.784590
C -2.892385 0.025478 -0.072726
C -1.349180 3.282791 -1.515569
C 2.086716 3.244423 0.346112
C -2.409854 1.503589 -0.118315
C -3.774265 -0.165177 1.169719
C 3.372287 2.428268 0.128794
C -1.165382 -1.370771 -1.225297
C -0.177524 -2.514030 -1.055135
C -4.641613 -1.398289 1.049469
C 1.197420 -1.990408 -0.795748
C 1.590270 -1.577072 0.493416
C 2.143101 -1.888567 -1.830852
C 2.849654 -1.032027 0.764429
C 3.414149 -1.372292 -1.604651
C 3.747154 -0.924993 -0.310695
H -0.603472 3.499596 0.508381
H -0.109834 4.797240 -0.584434
H 1.506675 3.307516 -1.753930
H 0.902127 1.894066 -0.880476
H -3.504767 -0.189813 -1.003213
H -0.995907 3.373046 -2.565490
H -2.219174 3.972880 -1.396260
H 2.319003 4.323306 0.411614
H 1.619410 2.980653 1.315481
H -1.594709 1.197580 -2.031938
H -4.426953 0.735937 1.290378
H -3.156871 -0.162203 2.091219
H -1.382049 -1.186020 0.868172
H 4.062343 2.962204 -0.558873
H 3.125295 1.467773 -0.382432
H -0.204990 -3.130543 -1.982628
H -0.491318 -3.202515 -0.238678
H 4.623682 2.887640 1.724314
H 3.452467 1.826792 2.115788
H 1.865597 -2.212135 -2.837705
H 3.130580 -0.703712 1.756262
H 4.149019 -1.292657 -2.402400
H -5.729957 -2.720565 2.242414
H -4.951924 -1.498704 3.149027
H 1.004043 -1.455340 2.373958
H 5.065149 0.197412 0.653099


%chk=000194947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194947

0 1
O -2.796754 2.399952 0.715371
O -1.502721 -0.876112 -2.337697
O -5.163688 -1.839566 -0.016338
O 0.359477 -1.603701 1.666509
O 4.916171 -0.280815 0.366908
N -1.811365 1.805070 -1.313687
N -1.857647 -0.922006 -0.038720
N 4.423840 2.185265 0.989054
N -5.111292 -1.959823 2.297880
C -0.178681 3.633941 -0.695752
C 1.157270 2.916644 -0.986553
C -2.978107 0.040844 -0.048444
C -1.348206 3.175860 -1.602838
C 2.189577 3.096929 0.152630
C -2.511213 1.523602 -0.166242
C -3.849046 -0.146556 1.201872
C 3.566078 2.505522 -0.215383
C -1.251147 -1.375574 -1.186882
C -0.236608 -2.517490 -0.983435
C -4.748232 -1.384797 1.088962
C 1.140966 -2.001196 -0.594434
C 1.413310 -1.513493 0.707962
C 2.210630 -1.967160 -1.524789
C 2.660636 -0.954694 1.059213
C 3.474430 -1.437778 -1.200021
C 3.702594 -0.886790 0.089971
H -0.485573 3.469472 0.353978
H -0.051434 4.728568 -0.818942
H 1.581018 3.288890 -1.942504
H 0.974300 1.831571 -1.122883
H -3.588191 -0.200355 -0.941708
H -1.051756 3.212884 -2.667331
H -2.199546 3.867658 -1.457834
H 2.284598 4.167843 0.423201
H 1.794763 2.573228 1.049831
H -1.661657 1.027602 -1.982150
H -4.484832 0.751993 1.310436
H -3.225444 -0.181030 2.115735
H -1.442692 -1.214796 0.856256
H 4.118862 3.198304 -0.876241
H 3.413141 1.570649 -0.782442
H -0.173305 -3.054976 -1.942918
H -0.624031 -3.213607 -0.216964
H 5.284519 2.746517 1.027491
H 3.897634 2.313390 1.864630
H 2.033025 -2.355905 -2.534143
H 2.847999 -0.587331 2.077302
H 4.287555 -1.408557 -1.931089
H -5.753601 -2.752120 2.286206
H -4.792090 -1.590464 3.191653
H 0.700021 -1.395954 2.570467
H 4.778441 0.705550 0.773150


