%chk=000221420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221420

0 1
O 0.665938 -4.200102 -0.566107
N -0.026651 -2.123695 0.070422
C 2.174894 -0.961982 0.205999
C -2.255208 -1.015018 -0.101985
C 3.256551 -0.236781 -0.603518
C -3.276747 -0.141973 0.635748
C 1.035306 -1.438939 -0.709906
C -1.023177 -1.286744 0.779604
C 4.399780 0.245370 0.299817
C -4.510116 0.129805 -0.236412
C 5.483205 0.972550 -0.508038
C -5.534672 1.004072 0.499125
C 6.626185 1.455031 0.394935
C -6.767766 1.274855 -0.373085
C 7.711200 2.182425 -0.411665
C -7.794400 2.149289 0.360652
C -0.124731 -3.516154 0.066061
C 8.851559 2.664906 0.482117
C -9.023741 2.421763 -0.503193
H 2.614125 -1.833339 0.732921
H 1.782183 -0.298800 0.999074
H -2.721129 -1.970954 -0.410301
H -1.943664 -0.524271 -1.045003
H 2.815831 0.623375 -1.143215
H 3.657285 -0.912490 -1.385190
H -2.810837 0.817644 0.933685
H -3.586622 -0.633700 1.578437
H 0.594083 -0.587697 -1.270082
H 1.434026 -2.160710 -1.466395
H -0.546967 -0.326600 1.081471
H -1.327483 -1.790656 1.723942
H 4.844896 -0.616525 0.834356
H 4.003243 0.915617 1.086375
H -4.979181 -0.827526 -0.535984
H -4.204210 0.622351 -1.179838
H 5.882104 0.300198 -1.292280
H 5.039576 1.832522 -1.045597
H -5.842359 0.512329 1.442145
H -5.067703 1.962607 0.797313
H 6.230119 2.126379 1.180721
H 7.071931 0.595487 0.931705
H -6.463229 1.767070 -1.316723
H -7.237104 0.317981 -0.672482
H 7.267551 3.043453 -0.948739
H 8.110654 1.510203 -1.196251
H -7.327582 3.108492 0.658733
H -8.102641 1.657133 1.303858
H -0.946640 -3.934185 0.666582
H 8.496456 3.363180 1.248393
H 9.338782 1.830875 1.000005
H 9.620818 3.182117 -0.102079
H -8.758901 2.943460 -1.429917
H -9.533526 1.493347 -0.784845
H -9.750592 3.046356 0.028137


%chk=000221420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221420

0 1
O 0.932446 -4.257887 -0.337396
N -0.023589 -2.168089 0.159924
C 2.183465 -0.950223 0.263084
C -2.259853 -1.005243 -0.088261
C 3.242993 -0.182301 -0.558200
C -3.365058 -0.229017 0.662702
C 0.996165 -1.420624 -0.609518
C -1.103942 -1.431916 0.847020
C 4.451848 0.268926 0.292285
C -4.537264 0.188513 -0.253657
C 5.528498 1.019887 -0.523229
C -5.658453 0.944776 0.494580
C 6.740761 1.461235 0.327625
C -6.831245 1.359241 -0.422308
C 7.824869 2.202784 -0.487455
C -7.959930 2.104291 0.326906
C 0.052692 -3.546649 0.229525
C 9.032266 2.638607 0.370782
C -9.127941 2.513608 -0.596220
H 2.647079 -1.839941 0.730635
H 1.814124 -0.305661 1.087108
H -2.690869 -1.910213 -0.560891
H -1.861775 -0.377898 -0.910849
H 2.776863 0.706830 -1.033408
H 3.600914 -0.828359 -1.386431
H -2.928819 0.676661 1.134321
H -3.756119 -0.854413 1.492649
H 0.510003 -0.553502 -1.096812
H 1.369894 -2.096754 -1.399780
H -0.673263 -0.535873 1.336602
H -1.505320 -2.075544 1.654221
H 4.910388 -0.620752 0.771735
H 4.097453 0.919602 1.119160
H -4.964596 -0.715500 -0.735335
H -4.150838 0.825245 -1.076581
H 5.880394 0.368976 -1.350797
H 5.072646 1.912059 -1.002076
H -6.044860 0.306722 1.316859
H -5.233111 1.849673 0.977286
H 6.391849 2.116981 1.152966
H 7.193436 0.569736 0.810302
H -6.448444 2.004201 -1.240855
H -7.252805 0.455756 -0.910807
H 7.372631 3.093126 -0.970716
H 8.173306 1.546295 -1.310946
H -7.539017 3.007053 0.815313
H -8.341347 1.458610 1.144263
H -0.762012 -3.982986 0.854612
H 8.716983 3.324566 1.179705
H 9.517658 1.764102 0.844031
H 9.794654 3.160483 -0.236603
H -8.777948 3.182818 -1.404818
H -9.587195 1.626375 -1.071670
H -9.919964 3.045010 -0.037080


