%chk=000211016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211016

0 1
O -0.001713 1.229589 -0.350393
N -4.961599 0.355605 0.432114
N -0.323864 -0.729845 -3.050178
C -0.066972 -0.216432 -0.479786
C 1.353356 1.677227 0.055866
C 1.269891 -0.720491 0.037530
C 2.091413 0.383625 0.353724
C -1.277063 -0.706767 0.329795
C 1.128325 2.548192 1.281517
C 1.932370 2.426641 -1.134416
C -2.567254 0.008641 -0.082382
C 1.716120 -2.020473 0.210734
C 3.370233 0.193766 0.852064
C -0.211638 -0.510329 -1.923496
C -3.756316 -0.466655 0.765939
C 3.014107 -2.214121 0.717665
C 3.827062 -1.124586 1.033575
C -6.189103 -0.188736 1.076503
H -1.380695 -1.803072 0.215038
H -1.075310 -0.521183 1.405936
H 2.051029 3.034533 1.612409
H 0.387474 3.332002 1.067297
H 0.728302 1.963769 2.120065
H 1.259666 3.237158 -1.447801
H 2.909614 2.863826 -0.908384
H 2.048730 1.767200 -2.005285
H -2.432259 1.108242 0.033733
H -2.770697 -0.150717 -1.159041
H 1.088262 -2.872625 -0.040835
H 4.009218 1.039022 1.097091
H -3.916526 -1.557294 0.624955
H -3.540262 -0.312416 1.847092
H 3.385288 -3.228327 0.861082
H 4.830373 -1.292543 1.424443
H -5.097700 0.370451 -0.585315
H -6.078540 -0.147060 2.172636
H -6.445871 -1.220961 0.796665
H -7.038949 0.463644 0.815342


%chk=000211016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211016

0 1
O 0.004007 1.367207 -0.156522
N -5.114449 0.101855 0.313175
N -0.363397 -0.509977 -3.054672
C -0.099411 -0.097567 -0.411316
C 1.449535 1.754627 0.092664
C 1.240776 -0.653057 0.079880
C 2.114421 0.413241 0.380965
C -1.332825 -0.640466 0.353150
C 1.428852 2.715377 1.292378
C 2.010279 2.422038 -1.182619
C -2.660884 0.023856 -0.062264
C 1.639051 -1.993281 0.235474
C 3.413943 0.153564 0.857198
C -0.247561 -0.327391 -1.880946
C -3.852205 -0.526987 0.744824
C 2.942800 -2.257321 0.719466
C 3.822789 -1.191249 1.028779
C -6.312156 -0.351261 1.041210
H -1.387466 -1.736646 0.194581
H -1.138214 -0.469479 1.428965
H 2.449095 3.074458 1.520368
H 0.796580 3.590098 1.061695
H 1.020932 2.213329 2.185556
H 1.425835 3.327635 -1.420269
H 3.067307 2.712247 -1.036905
H 1.953219 1.733892 -2.043442
H -2.594665 1.116157 0.083287
H -2.839414 -0.149438 -1.144071
H 0.962229 -2.817827 -0.014431
H 4.100292 0.974334 1.094200
H -3.872687 -1.646803 0.658669
H -3.707604 -0.298995 1.820854
H 3.274967 -3.292453 0.853143
H 4.829272 -1.410720 1.401733
H -5.233115 0.046764 -0.707092
H -6.229011 -0.062663 2.106024
H -6.484177 -1.456388 1.007914
H -7.208434 0.147790 0.631899


