%chk=000220665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220665

0 1
O 0.685717 -4.489509 -1.153215
O -0.224119 1.060572 -0.037287
O -0.790888 3.202140 0.510701
O -7.363279 0.732340 0.664254
O -6.671339 -1.099968 -0.257660
N 1.555748 -2.194614 0.317484
N -6.492960 0.012409 0.206632
C 1.315724 -0.923660 1.084120
C 0.839294 -3.328349 0.994956
C 1.094151 -2.072922 -1.104430
C 1.951848 0.267799 0.415046
C 1.117530 -4.623421 0.215340
C 1.352237 -3.402550 -1.828698
C 3.377984 0.396669 0.283511
C 1.167056 1.296423 -0.074309
C 3.920668 1.578513 -0.292216
C 1.688393 2.482936 -0.656006
C 4.278886 -0.630646 0.713865
C 3.048859 2.615877 -0.754308
C 5.340807 1.718903 -0.405048
C 5.635957 -0.470718 0.591273
C 6.176826 0.721737 0.028704
C -1.124182 2.072343 0.267261
C -2.503400 1.503962 0.238430
C -3.543032 2.295071 0.753001
C -2.761105 0.230671 -0.288585
C -4.851255 1.809342 0.744357
C -4.067862 -0.261492 -0.301485
C -5.098327 0.534255 0.216830
H 1.773865 -1.058192 2.093613
H 0.230810 -0.723491 1.254900
H -0.257632 -3.166718 1.069383
H 1.231627 -3.422090 2.029700
H 1.683481 -1.263669 -1.590880
H 0.022939 -1.793610 -1.188836
H 2.189450 -4.888817 0.231127
H 0.506257 -5.468348 0.577370
H 0.892073 -3.428631 -2.831651
H 2.431125 -3.629571 -1.895255
H 1.006040 3.264860 -0.991239
H 3.863077 -1.555905 1.121438
H 3.487589 3.515762 -1.187140
H 5.740978 2.632927 -0.841894
H 6.320351 -1.252953 0.917339
H 7.258184 0.821397 -0.051729
H -3.323234 3.290341 1.155473
H -1.937968 -0.372389 -0.687400
H -5.678866 2.409681 1.140944
H -4.292582 -1.254497 -0.709381


%chk=000220665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220665

0 1
O 0.733529 -4.658027 -1.101021
O -0.250132 1.026389 0.020018
O -0.841355 3.142609 0.862071
O -7.566939 1.061995 0.372466
O -6.875548 -0.943229 -0.467570
N 1.587014 -2.255106 0.288472
N -6.647358 0.239257 -0.004668
C 1.406907 -1.011566 1.091025
C 1.115386 -3.451000 1.035077
C 0.931850 -2.184127 -1.042296
C 1.992457 0.227301 0.429007
C 1.389233 -4.722867 0.214896
C 1.212670 -3.471599 -1.831561
C 3.421353 0.391582 0.277974
C 1.165830 1.266403 -0.019624
C 3.949393 1.615611 -0.292454
C 1.665754 2.471530 -0.598512
C 4.347866 -0.628693 0.680267
C 3.041523 2.638152 -0.721927
C 5.367619 1.780595 -0.419596
C 5.725524 -0.438369 0.545961
C 6.243459 0.776037 -0.004706
C -1.165459 2.014125 0.434327
C -2.569315 1.514455 0.301109
C -3.616266 2.383686 0.706369
C -2.869982 0.222711 -0.205914
C -4.957435 1.973044 0.609022
C -4.208316 -0.200492 -0.308030
C -5.230289 0.683402 0.101982
H 1.916693 -1.176102 2.060902
H 0.330219 -0.830521 1.314955
H 0.019530 -3.387955 1.257601
H 1.654543 -3.509470 2.000581
H 1.329883 -1.314279 -1.595235
H -0.176613 -2.051398 -0.941403
H 2.485400 -4.850325 0.081605
H 0.969990 -5.613399 0.711534
H 0.669448 -3.477213 -2.790767
H 2.304301 -3.561422 -2.018795
H 0.972387 3.249423 -0.923918
H 3.955892 -1.576456 1.058058
H 3.443723 3.560300 -1.156272
H 5.753698 2.712417 -0.849495
H 6.418815 -1.227797 0.856601
H 7.326109 0.910113 -0.103824
H -3.356454 3.373784 1.093445
H -2.054937 -0.434654 -0.518110
H -5.784620 2.619614 0.912030
H -4.473482 -1.188270 -0.693255


