%chk=000190315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190315

0 1
O 2.079667 2.407718 0.231308
O -3.184031 -1.969087 -0.088184
O -0.670606 -1.582552 -0.029714
O 6.145894 -1.994012 0.048749
O 6.608048 0.115935 0.172075
O -6.881905 -0.453026 -0.059579
O -5.610946 -2.201821 -0.136941
N 0.278908 0.502850 0.099297
N 5.825499 -0.819116 0.108823
N -5.789473 -1.003887 -0.073662
C 1.645432 0.100369 0.097397
C -2.173637 0.240626 0.048479
C 2.632871 1.144027 0.169756
C -0.824483 -0.357486 0.035514
C -3.290962 -0.648531 -0.017042
C 2.074427 -1.226924 0.030442
C 3.987302 0.850926 0.173729
C 4.378365 -0.501011 0.104854
C -4.614710 -0.120208 -0.007562
C -2.419040 1.620452 0.120847
C 3.442525 -1.531687 0.033971
C -4.810348 1.264944 0.065840
C -3.715478 2.130478 0.129735
C 2.989744 3.535207 0.307221
H 0.122238 1.520096 0.153039
H 1.340162 -2.044693 -0.025664
H 4.755239 1.627924 0.228097
H -1.577210 2.319480 0.171827
H 3.773562 -2.575999 -0.018802
H -5.838257 1.657754 0.072249
H -3.880701 3.206605 0.186562
H -2.186521 -2.316242 -0.092566
H 3.587530 3.478577 1.222473
H 2.290598 4.381222 0.343534
H 3.614599 3.578790 -0.590503


%chk=000190315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190315

0 1
O 1.973717 2.347198 0.220059
O -3.169726 -2.028138 -0.103463
O -0.705034 -1.730175 -0.036329
O 6.291306 -1.945610 0.059355
O 6.660603 0.304506 0.177653
O -6.992969 -0.202063 -0.068305
O -5.819063 -2.150332 -0.158058
N 0.293730 0.368355 0.095161
N 5.876734 -0.724124 0.115310
N -5.878409 -0.869675 -0.083903
C 1.654181 -0.008278 0.094653
C -2.166569 0.196586 0.052069
C 2.583703 1.084958 0.163205
C -0.822160 -0.441850 0.034817
C -3.322300 -0.682340 -0.023383
C 2.143972 -1.335596 0.033888
C 3.965467 0.857255 0.169979
C 4.418143 -0.481617 0.107952
C -4.623178 -0.076072 -0.010222
C -2.357461 1.598624 0.138314
C 3.532221 -1.574620 0.040698
C -4.772134 1.322776 0.075617
C -3.644798 2.163561 0.150689
C 2.843179 3.530486 0.292050
H 0.166177 1.384079 0.145661
H 1.430576 -2.158107 -0.017851
H 4.703135 1.660751 0.220392
H -1.501861 2.281280 0.199278
H 3.932283 -2.590084 -0.005428
H -5.789135 1.723626 0.081715
H -3.772059 3.247145 0.218069
H -2.140022 -2.224309 -0.093806
H 3.465241 3.502367 1.205404
H 2.160180 4.390766 0.328705
H 3.486633 3.596370 -0.604345


