%chk=000259181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259181

0 1
O -2.671103 3.442489 0.183991
N 0.290658 1.157432 -0.421898
N 4.957817 0.843599 -0.169155
C 1.468868 1.584237 -1.255341
C -0.973017 1.663641 -1.064140
C 2.749488 1.030990 -0.729120
C -2.194047 1.189298 -0.318683
C 2.980773 -0.312656 -0.251728
C -2.544131 -0.198709 -0.227505
C 4.372936 -0.405188 0.088946
C 3.958057 1.710324 -0.664142
C 0.413708 1.648407 0.981080
C -3.737627 -0.577545 0.448804
C -3.035113 2.112910 0.283702
C 2.154175 -1.436824 -0.065630
C -1.729672 -1.231143 -0.800295
C 4.942110 -1.594755 0.590137
C -4.567574 0.421920 1.045445
C -4.229301 1.748602 0.970976
C -4.096296 -1.961983 0.526544
C 2.716052 -2.601872 0.426660
C 4.097361 -2.678593 0.748339
C -2.097093 -2.548708 -0.709779
C -3.299530 -2.922788 -0.040108
H 1.543662 2.690931 -1.358380
H 1.310046 1.176067 -2.283971
H -1.009206 1.266168 -2.105261
H -0.994907 2.776895 -1.149389
H 4.182644 2.726879 -0.928935
H 0.400466 2.742058 1.089005
H 1.350697 1.262652 1.417023
H -0.417087 1.231484 1.574380
H 5.917398 1.084999 -0.031554
H 1.089888 -1.360087 -0.299083
H -0.796058 -0.945210 -1.292394
H 5.995177 -1.648245 0.838956
H -5.475572 0.109571 1.562059
H -4.847888 2.518930 1.421221
H -5.014356 -2.232925 1.045539
H 2.097347 -3.482780 0.580030
H 4.489650 -3.619676 1.131595
H -1.475964 -3.331161 -1.143724
H -3.564679 -3.976582 0.013006
H -3.327854 4.033544 0.622677


%chk=000259181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259181

0 1
O -2.699283 3.490021 0.320158
N 0.290763 1.239991 -0.352892
N 4.993735 0.819978 -0.257974
C 1.449812 1.510856 -1.248814
C -0.980255 1.668325 -1.012574
C 2.758422 0.974238 -0.726149
C -2.227586 1.199742 -0.281398
C 3.035433 -0.360148 -0.214158
C -2.603108 -0.194162 -0.249799
C 4.446768 -0.427398 0.069762
C 3.973065 1.658886 -0.730578
C 0.452162 1.835698 0.991300
C -3.824197 -0.605349 0.418235
C -3.070827 2.127066 0.351443
C 2.226521 -1.498339 0.050892
C -1.802160 -1.210205 -0.874962
C 5.062807 -1.589758 0.584761
C -4.642011 0.388027 1.047167
C -4.275300 1.730494 1.016533
C -4.194993 -1.990274 0.431864
C 2.835562 -2.660360 0.562858
C 4.237851 -2.707827 0.823841
C -2.191603 -2.551614 -0.850875
C -3.397460 -2.950874 -0.191926
H 1.566339 2.608216 -1.454989
H 1.212502 1.033082 -2.222863
H -0.974490 1.239676 -2.034966
H -1.022969 2.776249 -1.121365
H 4.184644 2.680531 -1.042093
H 0.498884 2.952835 0.965741
H 1.378827 1.454975 1.451314
H -0.400266 1.541896 1.626635
H 5.972667 1.078732 -0.162298
H 1.146535 -1.448228 -0.116908
H -0.863360 -0.919894 -1.353637
H 6.137731 -1.627686 0.795572
H -5.564038 0.079320 1.553121
H -4.905223 2.489776 1.499100
H -5.121387 -2.282992 0.941112
H 2.223579 -3.544191 0.775722
H 4.680256 -3.627193 1.224230
H -1.565735 -3.309382 -1.335819
H -3.687736 -4.007125 -0.178402
H -3.369976 4.040986 0.793980


