%chk=000201238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201238

0 1
O 5.954419 -0.393488 -0.212915
N -1.488939 2.104381 0.521995
N 0.479740 -1.096781 -0.145175
C -1.399108 0.675214 0.068202
C 0.036959 0.221522 0.023894
C 1.135833 1.081187 0.082173
C 0.999323 2.552241 0.224020
C -0.451139 2.973186 -0.107405
C 2.321930 0.282625 -0.038954
C -2.281041 -0.209138 0.980631
C 1.889441 -1.081444 -0.185086
C -3.645364 -0.446295 0.391082
C 3.700081 0.581271 -0.040423
C 2.805200 -2.145279 -0.333195
C 4.574704 -0.481907 -0.187261
C 4.148522 -1.840857 -0.333817
C -4.460885 0.641138 0.038679
C -4.116962 -1.754352 0.207601
C -5.732479 0.418966 -0.492407
C -5.392484 -1.970561 -0.323583
C -6.202009 -0.886897 -0.674600
C 6.544200 0.920529 -0.079998
H -1.802745 0.647905 -0.984636
H 1.271242 2.860382 1.254151
H 1.709465 3.076725 -0.445782
H -0.639804 4.015129 0.226865
H -0.604372 2.959566 -1.208915
H -1.383017 2.145541 1.543972
H -2.403040 0.264357 1.980752
H -1.776116 -1.169243 1.200824
H -0.098663 -1.904315 -0.256658
H 4.026919 1.606788 0.070635
H 2.455799 -3.168211 -0.442945
H 4.912120 -2.608393 -0.443865
H -4.091257 1.660069 0.176332
H -3.497579 -2.605184 0.479507
H -6.360813 1.265353 -0.765375
H -5.754592 -2.987565 -0.463304
H -7.193528 -1.056931 -1.087819
H 6.284738 1.357294 0.888584
H 6.236032 1.561227 -0.911157
H 7.616466 0.693245 -0.134824


%chk=000201238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201238

0 1
O 6.152541 -0.211917 -0.021340
N -1.518132 1.860144 0.297589
N 0.658134 -1.195588 -0.372764
C -1.343308 0.460635 -0.200068
C 0.131435 0.091415 -0.171648
C 1.184336 0.994571 0.005663
C 0.953930 2.475671 0.194268
C -0.507122 2.817548 -0.226514
C 2.418148 0.238718 -0.069886
C -2.231690 -0.517317 0.619941
C 2.059442 -1.133125 -0.311888
C -3.723735 -0.505177 0.289981
C 3.790858 0.598754 0.035090
C 3.034055 -2.145893 -0.447280
C 4.757779 -0.418564 -0.102222
C 4.385770 -1.777322 -0.340669
C -4.391406 0.670057 -0.144864
C -4.478000 -1.698584 0.437513
C -5.776697 0.645269 -0.424697
C -5.864275 -1.722401 0.165551
C -6.520381 -0.547247 -0.268354
C 6.609207 1.153574 0.223251
H -1.702159 0.441114 -1.252715
H 1.122112 2.776243 1.250264
H 1.665094 3.068533 -0.416156
H -0.783849 3.832397 0.112935
H -0.581915 2.805537 -1.330575
H -1.524926 1.864350 1.330019
H -2.074056 -0.295520 1.697810
H -1.856105 -1.549240 0.479819
H 0.114201 -2.038291 -0.542853
H 4.072950 1.639702 0.218980
H 2.759876 -3.190668 -0.630901
H 5.185506 -2.517518 -0.438006
H -3.808897 1.593094 -0.247972
H -3.976098 -2.618105 0.767187
H -6.277320 1.560748 -0.761294
H -6.428785 -2.654204 0.286440
H -7.595050 -0.562430 -0.482865
H 6.234284 1.539048 1.192730
H 6.293937 1.838414 -0.589505
H 7.707509 1.092576 0.249807


