%chk=000294297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294297

0 1
O -2.076367 -1.035629 0.910639
O -4.581470 1.640921 -0.753926
N -2.699235 0.442115 -1.278515
C -2.523854 -1.830802 -0.218012
C -1.321562 -2.387520 -0.997246
C -0.379431 -3.158103 -0.063628
C 0.012503 -2.288507 1.136487
C -3.384942 -0.852663 -1.042117
C -1.240369 -1.760993 1.837346
C -0.863089 2.088286 0.904439
C 0.395194 2.114398 0.028116
C -1.911526 3.121640 0.474902
C 1.415385 1.062098 0.480901
C -2.514238 2.879069 -0.914489
C 2.651039 1.046833 -0.427472
C -3.375452 1.630290 -0.931335
C 3.665139 -0.012857 0.023041
C 4.905925 -0.021717 -0.881982
C 5.900955 -1.056665 -0.445436
C 7.212465 -0.837341 -0.375626
H -3.153298 -2.658661 0.178933
H -1.672145 -3.039887 -1.817893
H -0.766852 -1.561207 -1.483281
H -0.864680 -4.090670 0.283909
H 0.525084 -3.473912 -0.616974
H 0.626832 -1.421519 0.787667
H 0.644147 -2.854649 1.843126
H -3.633529 -1.302483 -2.029936
H -4.360482 -0.671425 -0.521924
H -1.835298 -2.569177 2.296436
H -1.015238 -0.985792 2.591937
H 0.124071 1.946725 -1.032011
H 0.854063 3.121844 0.060847
H -1.308180 1.067541 0.910292
H -0.584822 2.281658 1.959642
H -2.729531 3.140162 1.226413
H -1.464980 4.136189 0.493881
H 1.718300 1.259434 1.527159
H 0.940157 0.051742 0.491115
H -1.687353 0.406761 -1.125783
H -3.157953 3.741685 -1.193901
H -1.720559 2.838138 -1.685190
H 3.127465 2.046714 -0.429576
H 2.347898 0.857250 -1.475171
H 3.191345 -1.013178 0.024337
H 3.972668 0.178706 1.069939
H 4.610762 -0.229209 -1.932648
H 5.363865 0.988293 -0.900293
H 5.471995 -2.028912 -0.195178
H 7.923455 -1.592691 -0.075410
H 7.679320 0.107573 -0.610448


%chk=000294297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294297

0 1
O -1.406094 -2.937048 -0.673906
O -3.549663 1.333018 0.538933
N -2.059235 -0.295776 -0.196733
C -2.711860 -2.679562 -0.011942
C -3.861830 -2.694661 -1.039465
C -3.872879 -4.022387 -1.835290
C -2.487791 -4.280232 -2.474582
C -2.523558 -1.341942 0.720864
C -1.389989 -4.222144 -1.396748
C -0.316948 2.995556 0.484119
C 0.997774 2.446165 -0.116607
C -1.451246 3.230628 -0.542895
C 2.120978 2.293059 0.934559
C -1.966642 1.941666 -1.238158
C 3.432959 1.723001 0.349755
C -2.597644 0.978217 -0.226796
C 4.547148 1.550819 1.406530
C 5.858483 0.971712 0.810238
C 6.928053 0.737507 1.856098
C 8.174881 1.273314 1.843146
H -2.884979 -3.480102 0.744831
H -4.822462 -2.551365 -0.508135
H -3.737060 -1.839931 -1.731802
H -4.121972 -4.860809 -1.151524
H -4.660154 -3.997071 -2.611090
H -2.283067 -3.509932 -3.243367
H -2.460750 -5.267780 -2.974993
H -3.471717 -0.994708 1.167551
H -1.788808 -1.484755 1.537604
H -1.526049 -5.052788 -0.667790
H -0.378154 -4.292131 -1.830310
H 0.817449 1.457752 -0.587378
H 1.342378 3.120879 -0.928488
H -0.677694 2.305692 1.274004
H -0.101001 3.957616 0.992455
H -2.312477 3.699421 -0.030793
H -1.105685 3.939423 -1.322124
H 2.323509 3.280003 1.400445
H 1.765742 1.631557 1.752226
H -1.295290 -0.555272 -0.824391
H -2.755519 2.222949 -1.961876
H -1.156143 1.450804 -1.809426
H 3.795126 2.389840 -0.460513
H 3.226090 0.740770 -0.125495
H 4.185767 0.881828 2.215059
H 4.765702 2.527282 1.883105
H 5.616687 0.008961 0.310156
H 6.243226 1.651005 0.024583
H 6.640783 0.077145 2.690899
H 8.901259 1.063948 2.636771
H 8.503962 1.938753 1.034789


