%chk=000274982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274982

0 1
O 4.904596 1.928234 3.120671
O 4.330042 -2.067193 1.718995
O 3.677682 2.655581 1.389859
O 6.359952 2.967378 -2.909136
O 7.839926 2.877660 -1.232024
N 3.915965 -0.156931 0.544281
N -1.136007 -1.467796 -0.316896
N -6.994139 0.567296 1.164284
N -6.619730 2.343607 -0.504102
N -4.862282 2.262073 -2.026319
N -8.514151 2.356685 0.906639
C 5.022365 0.579226 1.174404
C 6.114150 0.998887 0.175014
C 5.605519 1.876433 -0.969825
C -2.370070 -2.246990 -0.635298
C -3.579733 -1.476351 -0.175722
C 2.481420 -2.086562 0.156875
C 0.119706 -2.111731 -0.389423
C 3.644756 -1.492129 0.896075
C -5.074783 0.433217 -0.369134
C -3.936125 -0.297839 -0.796627
C 1.210428 -1.532483 0.303103
C 4.432429 1.827284 1.842561
C -5.866234 -0.077148 0.707864
C -4.362549 -1.976011 0.912097
C -5.473740 -1.304649 1.344214
C 2.702701 -3.207328 -0.649596
C 0.338262 -3.241524 -1.210925
C 1.619734 -3.774671 -1.330804
C -5.517766 1.684977 -0.953366
C 6.737846 2.596456 -1.636818
C -7.342218 1.731420 0.528080
H 5.491744 -0.080467 1.974050
H 6.590125 0.081846 -0.236301
H 6.929101 1.525176 0.725473
H 4.867870 2.636265 -0.604802
H 5.042298 1.276101 -1.718683
H 3.369049 0.335667 -0.158479
H -2.405955 -2.398215 -1.741403
H -2.346274 -3.264058 -0.180019
H -1.259063 -0.840987 0.482841
H -3.336876 0.080879 -1.626176
H 1.056441 -0.669718 0.947350
H -4.059685 -2.907719 1.393227
H -6.089733 -1.670430 2.167847
H 3.697785 -3.640074 -0.733828
H -0.483619 -3.695042 -1.758317
H 1.781852 -4.649184 -1.962864
H 4.561322 2.729573 3.605365
H -5.152888 3.176124 -2.347280
H -3.935219 1.966819 -2.277849
H 7.070373 3.470266 -3.390785
H -8.720909 3.279564 0.558564
H -8.995591 2.042336 1.735472


%chk=000274982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274982

0 1
O 5.246296 2.478180 2.844261
O 4.971261 -1.974630 0.380361
O 3.068347 2.211916 2.084844
O 5.707661 3.321080 -2.811904
O 7.498970 2.151465 -1.908900
N 3.704724 -0.069094 0.729226
N -1.134011 -1.867518 0.064204
N -7.034025 0.693285 0.831574
N -6.100196 2.530453 -0.508843
N -4.051848 2.399249 -1.586552
N -8.168773 2.721018 0.553138
C 4.834049 0.659909 1.313453
C 5.882261 1.135269 0.258670
C 5.276876 2.062149 -0.808689
C -2.385374 -2.553097 -0.291414
C -3.594741 -1.674736 0.001918
C 2.592495 -2.085170 -0.149613
C 0.136523 -2.334489 -0.282721
C 3.838517 -1.393385 0.337376
C -4.820912 0.444145 -0.274617
C -3.687986 -0.377407 -0.530268
C 1.292815 -1.646536 0.192901
C 4.263886 1.834032 2.100925
C -5.904206 -0.055883 0.544098
C -4.667226 -2.163393 0.811977
C -5.793978 -1.379691 1.075985
C 2.763304 -3.232109 -0.967925
C 0.322593 -3.482785 -1.109480
C 1.624963 -3.913793 -1.440840
C -4.999431 1.798449 -0.788662
C 6.293980 2.476709 -1.853230
C -7.066757 1.938162 0.292954
H 5.371992 -0.011838 2.010304
H 6.296764 0.228146 -0.211915
H 6.709239 1.640677 0.786814
H 4.855517 2.987831 -0.369092
H 4.436320 1.565799 -1.330616
H 2.805262 0.416956 0.696921
H -2.353053 -2.798794 -1.373340
H -2.488122 -3.520068 0.249290
H -1.201838 -1.158967 0.795923
H -2.858408 -0.017798 -1.153064
H 1.146146 -0.791648 0.867242
H -4.597956 -3.173512 1.233966
H -6.617430 -1.746605 1.695565
H 3.778423 -3.566087 -1.199469
H -0.540012 -4.048781 -1.473282
H 1.746905 -4.801773 -2.071230
H 4.848525 3.244783 3.339521
H -4.239771 3.345682 -1.911577
H -3.193352 1.932992 -1.860864
H 6.395775 3.574718 -3.485671
H -8.217715 3.656208 0.159774
H -8.913166 2.344127 1.132997


