%chk=000220374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220374

0 1
O 1.138802 2.090847 1.784025
O 0.135472 3.470246 -1.074463
O -1.070631 2.519066 1.772808
O 7.363942 -2.516368 1.514713
O -7.625864 -2.797625 -1.136345
O 7.579592 -2.771510 -0.622264
O -7.612367 -2.702636 1.024397
N 7.024902 -2.306712 0.360920
N -7.177796 -2.395592 -0.074053
C -0.083935 1.274159 -0.117245
C 1.160347 0.359531 -0.216566
C -1.355588 0.394420 -0.185925
C 2.465597 1.119912 -0.497773
C -2.665434 1.192194 -0.260471
C -0.053319 2.296950 -1.282079
C -0.112864 2.037588 1.215876
C 3.654600 0.227008 -0.282549
C -3.845096 0.263067 -0.215817
C -0.244226 1.746909 -2.662583
C 4.089538 -0.050449 1.026497
C -4.405402 -0.229424 -1.407477
C 4.334087 -0.332259 -1.377796
C -4.387852 -0.121788 1.022889
C 5.189190 -0.875800 1.242822
C -5.495447 -1.096174 -1.366695
C 5.436960 -1.159618 -1.173115
C -5.477206 -0.987790 1.075809
C 1.249826 2.844362 3.025822
C 5.858734 -1.429262 0.138297
C -6.025370 -1.474201 -0.122606
H 1.003854 -0.404805 -1.003865
H 1.260460 -0.206523 0.735357
H -1.287642 -0.286194 -1.059088
H -1.381946 -0.269690 0.704957
H 2.464224 1.540201 -1.523504
H 2.537785 2.010508 0.175636
H -2.715801 1.923485 0.587237
H -2.696659 1.825281 -1.169520
H 0.331778 0.832255 -2.848700
H 0.055669 2.488786 -3.421894
H -1.300736 1.511453 -2.859596
H 3.561113 0.388462 1.874960
H -3.992201 0.069222 -2.369884
H 4.004403 -0.118582 -2.394107
H -3.957708 0.265708 1.948477
H 5.539364 -1.098631 2.256980
H -5.943167 -1.485072 -2.288154
H 5.976822 -1.600429 -2.018837
H -5.911038 -1.292728 2.034989
H 2.291948 2.674979 3.313714
H 0.545755 2.450371 3.765617
H 1.046632 3.901392 2.822070


%chk=000220374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220374

0 1
O 0.712084 3.008215 1.464198
O -0.590806 3.510464 -1.087665
O -1.143380 1.766829 2.085397
O 7.111632 -3.545212 0.835709
O -7.794405 -2.893134 -0.685661
O 7.493621 -2.939411 -1.330344
O -7.414215 -2.764504 1.559704
N 6.861511 -2.828431 -0.209309
N -7.136301 -2.454299 0.336448
C -0.054728 1.328841 -0.114935
C 1.223062 0.421627 -0.091652
C -1.292171 0.387846 -0.354227
C 2.594058 1.116071 0.152335
C -2.642933 1.119504 -0.604438
C -0.052240 2.386655 -1.256015
C -0.251256 2.035104 1.246988
C 3.728729 0.108803 0.060281
C -3.825374 0.193077 -0.376106
C 0.508804 1.978682 -2.612470
C 4.050555 -0.714272 1.173676
C -4.585988 -0.320273 -1.458528
C 4.465093 -0.058335 -1.142708
C -4.178076 -0.183798 0.949907
C 5.073322 -1.678093 1.097552
C -5.672564 -1.189860 -1.237193
C 5.492670 -1.016364 -1.243470
C -5.260548 -1.047934 1.193738
C 0.544552 3.828618 2.692162
C 5.780917 -1.816618 -0.116864
C -5.994074 -1.542436 0.091128
H 1.267618 -0.118925 -1.056890
H 1.072688 -0.355871 0.683591
H -1.071623 -0.288632 -1.201817
H -1.390214 -0.241266 0.548647
H 2.742076 1.925510 -0.586051
H 2.587842 1.598476 1.143892
H -2.714154 1.978205 0.086468
H -2.671452 1.527347 -1.631332
H 1.607712 1.865210 -2.569453
H 0.262893 2.756171 -3.351944
H 0.096649 1.008017 -2.945765
H 3.498561 -0.589412 2.112608
H -4.328599 -0.030428 -2.483718
H 4.237199 0.576689 -2.006843
H -3.598894 0.219752 1.788728
H 5.335373 -2.314580 1.946808
H -6.269982 -1.592834 -2.059191
H 6.070495 -1.153452 -2.161285
H -5.550612 -1.341642 2.205967
H 1.406236 4.509777 2.691320
H 0.538082 3.185242 3.587566
H -0.403344 4.387781 2.632954


