%chk=000217797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217797

0 1
O 4.338840 1.556008 -1.061915
O -0.041715 1.912988 -1.420491
N 3.059636 1.096128 0.854843
N -1.159524 2.212491 0.546923
N 3.330134 -0.280359 0.899313
N -3.853829 -0.318284 -0.158724
C 1.261098 2.707342 0.469422
C 1.774807 1.613567 1.439297
C 2.393103 2.936142 -0.543120
C 3.384471 1.797079 -0.375356
C -0.013206 2.234840 -0.245224
C -2.428484 1.649368 0.023818
C -2.501162 0.128175 0.294726
C -3.792005 -1.521695 -1.036483
C -4.801186 -0.467118 0.993948
C 2.327858 -1.221386 0.475346
C -3.246631 -2.800409 -0.395239
C -6.245783 -0.473543 0.491846
C 2.335426 -2.501037 1.069664
C 1.432107 -0.934079 -0.570926
C 1.462184 -3.481719 0.598679
C 0.562579 -1.928069 -1.021937
C 0.569291 -3.200328 -0.440660
H 1.050341 3.651375 1.022216
H 1.031232 0.809566 1.609719
H 2.020506 2.053603 2.429688
H 2.014484 2.936241 -1.593826
H 2.893422 3.911221 -0.402645
H -3.283107 2.182684 0.490494
H -2.493991 1.834212 -1.076519
H -1.129768 2.425758 1.535730
H -1.692413 -0.379428 -0.278613
H -2.298401 -0.094951 1.361273
H 3.766720 -0.507746 1.807483
H -4.820759 -1.702614 -1.422312
H -3.175537 -1.248839 -1.923507
H -4.604256 -1.380664 1.596421
H -4.657165 0.402649 1.672870
H -2.216284 -2.675641 -0.041868
H -3.245609 -3.627594 -1.113596
H -3.851842 -3.115214 0.461928
H -6.424462 0.357664 -0.204055
H -6.489776 -1.398062 -0.043408
H -6.950884 -0.372715 1.323084
H 3.030457 -2.735906 1.871595
H 1.424625 0.043066 -1.058762
H 1.477481 -4.474979 1.046888
H -0.121242 -1.706600 -1.843242
H -0.105582 -3.970886 -0.804184


%chk=000217797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217797

0 1
O 3.677418 2.383041 -0.758066
O -0.260410 -0.283866 0.190827
N 2.917705 0.716820 0.723366
N -1.441579 1.692134 0.486382
N 4.056002 -0.095117 0.623976
N -4.780458 -0.024474 -0.158302
C 0.825532 1.558394 1.448081
C 1.926744 0.521926 1.803624
C 1.566051 2.637395 0.587375
C 2.826375 1.937514 0.061634
C -0.327829 0.894440 0.660606
C -2.626638 1.228313 -0.262019
C -3.572489 0.352589 0.604031
C -5.191472 -1.442471 -0.010987
C -5.868194 0.979850 -0.065504
C 3.977043 -1.328252 -0.093279
C -5.767540 -1.850467 1.372921
C -6.960910 0.801690 -1.135995
C 5.183899 -2.045141 -0.314654
C 2.740184 -1.869297 -0.530335
C 5.151997 -3.289007 -0.976492
C 2.727400 -3.121569 -1.184248
C 3.923144 -3.840131 -1.413305
H 0.409458 2.010811 2.366744
H 1.531602 -0.506397 1.782443
H 2.386937 0.721214 2.790902
H 0.970139 3.015148 -0.260058
H 1.874399 3.508242 1.195012
H -3.165622 2.111411 -0.649398
H -2.287242 0.626774 -1.121198
H -1.457384 2.620141 0.912943
H -3.015059 -0.558003 0.887483
H -3.814124 0.894902 1.550642
H 4.908089 0.459181 0.476274
H -5.932541 -1.672925 -0.798536
H -4.304063 -2.064488 -0.233733
H -6.342330 0.993789 0.949240
H -5.406502 1.977439 -0.200777
H -5.040485 -1.655379 2.182920
H -6.002497 -2.931156 1.383309
H -6.698553 -1.302696 1.608482
H -6.508772 0.774488 -2.143141
H -7.536234 -0.129983 -0.990274
H -7.676507 1.643231 -1.092621
H 6.138048 -1.629015 0.032229
H 1.804509 -1.319569 -0.381284
H 6.089510 -3.830146 -1.149037
H 1.768580 -3.530742 -1.522870
H 3.900865 -4.808282 -1.924727


