%chk=000255511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255511

0 1
O 1.391756 0.402454 -2.193045
N -5.261643 0.365912 0.597778
C 1.140059 0.106937 -0.793179
C -0.366299 -0.072552 -0.644956
C 1.943172 -1.158209 -0.510520
C 1.709582 1.253221 0.041471
C -1.198198 1.056206 -0.553666
C -0.946897 -1.346329 -0.670580
C -3.161150 -0.367977 -0.491201
C -2.582119 0.911259 -0.475959
C -2.334483 -1.495236 -0.587677
C -4.661657 -0.532760 -0.445931
C 1.956755 -1.702713 0.782702
C 1.233379 1.520481 1.332136
C 2.676250 -1.774871 -1.532538
C 2.755956 2.022597 -0.485898
C 2.698665 -2.856185 1.046821
C 1.794089 2.557156 2.083523
C 3.417995 -2.928985 -1.263120
C 3.312825 3.059611 0.266764
C 3.430402 -3.471342 0.025019
C 2.832462 3.328935 1.552301
C -4.872913 -0.079622 1.968859
C -6.749288 0.383701 0.461430
H -0.762759 2.056502 -0.535962
H -0.318785 -2.235119 -0.759689
H -3.226772 1.788683 -0.390716
H -2.766021 -2.494133 -0.602930
H -5.073917 -0.229478 -1.438300
H -4.938289 -1.601225 -0.308014
H 1.391877 -1.225795 1.582362
H 0.422297 0.925521 1.751737
H 2.664132 -1.346889 -2.538768
H 3.132477 1.798823 -1.486991
H 0.754837 1.071041 -2.519522
H 2.709339 -3.275085 2.051174
H 1.420954 2.762922 3.085027
H 3.987387 -3.403507 -2.060191
H 4.124533 3.654752 -0.147682
H 4.009032 -4.368672 0.233946
H 3.267387 4.135492 2.139123
H -3.772943 -0.064380 2.052137
H -5.224742 -1.082458 2.249450
H -5.262900 0.644359 2.701724
H -7.165655 1.077799 1.209792
H -7.241440 -0.591379 0.587036
H -7.015624 0.784938 -0.529478


%chk=000255511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255511

0 1
O 1.340663 0.519354 -2.206418
N -5.397906 0.333110 0.463021
C 1.171710 0.145385 -0.768834
C -0.337012 -0.105343 -0.540156
C 2.019636 -1.130752 -0.581561
C 1.737367 1.284779 0.113452
C -1.230037 1.002571 -0.523913
C -0.887254 -1.406064 -0.458548
C -3.171344 -0.491295 -0.355976
C -2.623308 0.813790 -0.438080
C -2.284265 -1.593105 -0.359442
C -4.681898 -0.702917 -0.315999
C 2.324923 -1.604943 0.719232
C 1.240733 1.548342 1.414855
C 2.473748 -1.865580 -1.703015
C 2.835605 2.043279 -0.364926
C 3.069488 -2.791247 0.895539
C 1.824640 2.553858 2.218394
C 3.226195 -3.049780 -1.526717
C 3.418037 3.049709 0.435622
C 3.525658 -3.519785 -0.228133
C 2.915348 3.309690 1.732329
C -5.111954 0.258260 1.910404
C -6.846336 0.349866 0.180544
H -0.829275 2.023773 -0.559303
H -0.223289 -2.275909 -0.466221
H -3.309196 1.667754 -0.413136
H -2.687495 -2.611114 -0.286283
H -5.076070 -0.660925 -1.351926
H -4.896117 -1.737597 0.060174
H 1.991274 -1.043106 1.598140
H 0.387981 0.976826 1.798501
H 2.239028 -1.493098 -2.703018
H 3.220877 1.832680 -1.367523
H 0.661969 1.211266 -2.416175
H 3.298478 -3.142599 1.908110
H 1.426179 2.747078 3.221042
H 3.576594 -3.604279 -2.404958
H 4.265349 3.628558 0.050407
H 4.108976 -4.437598 -0.091842
H 3.367371 4.090534 2.354415
H -4.023869 0.324467 2.080330
H -5.479330 -0.690015 2.379702
H -5.593316 1.107105 2.427854
H -7.318039 1.191845 0.718202
H -7.372316 -0.589654 0.489011
H -7.015099 0.497226 -0.901379


