%chk=000211393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211393

0 1
O -0.897662 -1.303596 2.027349
O -2.789601 -0.525211 0.649436
O 2.644660 1.314812 -1.943479
O -1.689602 -0.211050 -1.302604
O 4.307461 1.737847 0.344840
N -5.213444 2.167135 -0.162079
N 0.155431 -4.986899 0.632542
C -0.536226 -1.256814 0.642728
C 0.740919 -0.435687 0.584368
C -0.314509 -2.662856 0.117510
C -1.686823 -0.587595 -0.156614
C 1.170010 0.118824 -0.630822
C 1.501232 -0.266323 1.743315
C -4.012881 0.078838 0.113411
C -3.869005 1.604051 0.180336
C 2.366900 0.839947 -0.681993
C -0.292664 -2.950007 -1.253286
C -0.073821 -3.711429 1.029380
C 2.700333 0.456759 1.703797
C 3.141812 1.009195 0.501692
C -0.054154 -4.261282 -1.671491
C -5.496103 3.399880 0.630243
C -5.314854 2.451222 -1.624438
C 0.163067 -5.252611 -0.700916
C 3.865087 2.072888 -2.134427
C 5.141474 1.920657 1.515305
H 0.581230 0.012231 -1.547897
H 1.156363 -0.694385 2.688237
H -4.181045 -0.295962 -0.909370
H -4.775417 -0.314376 0.809856
H -3.050933 1.940831 -0.493789
H -3.558757 1.897860 1.206638
H -0.461018 -2.157455 -1.989841
H -1.837604 -1.594728 2.143148
H 3.274218 0.576297 2.619087
H -0.060685 -3.521618 2.112524
H -0.033209 -4.509605 -2.730232
H -5.498811 3.145211 1.702566
H -4.790615 4.227922 0.469086
H -6.509149 3.757615 0.383007
H -6.352111 2.741833 -1.857052
H -4.643533 3.241838 -1.991152
H -5.100190 1.531209 -2.191624
H 0.352959 -6.295360 -0.981136
H 4.734870 1.452613 -1.894208
H 3.817094 2.307699 -3.203803
H 3.845252 2.978790 -1.519501
H 4.602765 2.484202 2.282500
H 5.492268 0.953963 1.888180
H 5.972021 2.509079 1.105073


%chk=000211393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211393

0 1
O -0.884755 -1.868925 2.249599
O -2.647794 -0.405064 1.059653
O 2.052253 1.691419 -1.776140
O -2.048411 -1.025623 -1.106709
O 4.059911 1.774809 0.252769
N -4.661085 2.454575 -0.387981
N -0.282014 -5.472708 0.472200
C -0.588708 -1.651970 0.831884
C 0.613864 -0.680220 0.683905
C -0.282997 -3.031459 0.218247
C -1.822931 -1.024525 0.120801
C 0.801156 0.145559 -0.449920
C 1.582046 -0.659473 1.712704
C -3.848302 0.320408 0.535653
C -3.474603 1.769051 0.167862
C 1.936008 0.975231 -0.572457
C 0.227324 -3.158660 -1.096042
C -0.520823 -4.216736 0.958564
C 2.724803 0.159241 1.600895
C 2.925036 0.971305 0.459300
C 0.472813 -4.447847 -1.613277
C -4.718852 3.895996 -0.074868
C -4.870760 2.186134 -1.826857
C 0.205418 -5.572216 -0.799355
C 2.373155 3.131751 -1.704302
C 5.126202 1.709875 1.256945
H 0.078635 0.170960 -1.272254
H 1.431725 -1.288391 2.594238
H -4.234359 -0.235222 -0.335340
H -4.574352 0.294725 1.360843
H -2.609400 1.763546 -0.537509
H -3.150324 2.295128 1.083506
H 0.431244 -2.273122 -1.704130
H -1.479206 -1.130410 2.545729
H 3.468420 0.146800 2.403367
H -0.907612 -4.151946 1.978005
H 0.864350 -4.581003 -2.626603
H -4.652131 4.047088 1.016932
H -3.905872 4.492222 -0.560554
H -5.686810 4.306499 -0.414833
H -5.856541 2.576501 -2.136422
H -4.089219 2.656405 -2.474358
H -4.860337 1.100718 -2.023615
H 0.383779 -6.590169 -1.165225
H 3.371906 3.294863 -1.269008
H 2.341439 3.477766 -2.748718
H 1.608798 3.667818 -1.108200
H 4.776795 2.074688 2.242296
H 5.516618 0.679208 1.357612
H 5.917497 2.371799 0.875568


