%chk=000219015.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219015

0 1
O 5.293244 1.431456 -0.028456
O 6.660945 -0.915994 1.701397
O 7.077734 -1.227054 -0.754334
O 4.642877 1.772978 -3.017776
N 3.487307 0.791184 1.350732
N 1.463615 1.695502 1.987870
N 2.603126 -1.160079 0.026591
N -1.189074 0.316172 1.222647
N 0.153760 -1.263968 0.029319
N -5.944219 -1.398304 -1.862622
C 5.455802 -0.746500 0.979845
C 4.948982 0.714510 1.161511
C 5.699803 -0.887926 -0.550867
C 5.544192 0.526506 -1.146001
C 4.392518 0.665425 -2.148761
C 2.490254 -0.028523 0.800035
C 2.787428 1.841972 2.047903
C 1.238742 0.538991 1.219895
C 0.037775 -0.128264 0.815631
C -2.462914 -0.284227 0.761933
C -2.960295 0.389719 -0.532146
C -4.294194 -0.143679 -0.903003
C 1.399749 -1.709076 -0.306817
C -5.564540 0.325594 -0.399615
C -6.582750 -0.477268 -1.017453
C -4.552033 -1.185152 -1.783308
C -5.946068 1.336715 0.502471
C -7.953578 -0.285104 -0.746042
C -7.291816 1.522025 0.766337
C -8.285314 0.717210 0.146972
H 4.773162 -1.515365 1.404966
H 5.463455 1.266578 1.985903
H 5.041679 -1.650082 -1.015496
H 6.504734 0.903108 -1.576017
H 3.419109 0.799177 -1.642513
H 4.339506 -0.192993 -2.846403
H 7.429305 -0.531830 1.190060
H 7.234772 -2.167058 -0.502632
H 3.324862 2.632963 2.553738
H 4.625136 2.611700 -2.504771
H -2.329259 -1.380079 0.590237
H -3.213510 -0.171392 1.576737
H -2.225475 0.215700 -1.348295
H -3.009872 1.491317 -0.407240
H -1.238225 1.197247 1.736901
H 1.430297 -2.621364 -0.928048
H -3.858072 -1.780928 -2.350103
H -6.395667 -2.086821 -2.430394
H -5.186692 1.955162 0.974496
H -8.708646 -0.900873 -1.222028
H -7.610788 2.297515 1.459705
H -9.330970 0.904580 0.389109


%chk=000219015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219015

0 1
O 5.153444 1.439124 -0.239676
O 6.775690 -0.501141 1.699789
O 6.883737 -1.705203 -0.660030
O 5.305075 1.919290 -3.054201
N 3.408778 0.876637 1.328841
N 1.427406 1.682037 2.174187
N 2.493057 -0.909689 -0.167333
N -1.249317 0.435036 1.310927
N 0.034416 -1.010416 -0.075763
N -5.970997 -1.427635 -1.855604
C 5.469898 -0.587001 1.056898
C 4.853718 0.832891 1.068327
C 5.647524 -0.927499 -0.457341
C 5.817449 0.444997 -1.137991
C 5.150548 0.569110 -2.510399
C 2.389394 0.115138 0.735076
C 2.764590 1.803339 2.171489
C 1.181478 0.626860 1.275317
C -0.036834 0.020394 0.838065
C -2.533439 -0.136939 0.875110
C -3.040873 0.463539 -0.470763
C -4.374974 -0.111756 -0.873292
C 1.266115 -1.408233 -0.510891
C -5.680474 0.270320 -0.355887
C -6.662725 -0.571201 -0.991090
C -4.597348 -1.147566 -1.781316
C -6.117357 1.249848 0.576124
C -8.044478 -0.460877 -0.719429
C -7.493595 1.365642 0.851578
C -8.447008 0.518144 0.211693
H 4.829060 -1.319419 1.582068
H 5.343642 1.431700 1.855521
H 4.750169 -1.454769 -0.824067
H 6.890482 0.706840 -1.203142
H 4.079838 0.288295 -2.423163
H 5.649861 -0.099780 -3.232282
H 7.405329 -1.015662 1.116979
H 6.668943 -2.667743 -0.732263
H 3.328043 2.532498 2.750341
H 4.955580 2.551833 -2.374411
H -2.406070 -1.225356 0.750339
H -3.277392 0.035223 1.673306
H -2.277583 0.251774 -1.240610
H -3.108818 1.564424 -0.368567
H -1.235510 1.222815 1.962260
H 1.268119 -2.232205 -1.231526
H -3.876499 -1.701563 -2.380388
H -6.396400 -2.131608 -2.454192
H -5.396498 1.912557 1.069582
H -8.781604 -1.106646 -1.210025
H -7.844690 2.118237 1.566407
H -9.511002 0.632469 0.447219


