%chk=000211878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211878

0 1
N 0.383483 -0.774762 0.014202
N -3.486090 0.674124 0.434551
N 0.623651 1.239332 -1.053965
C -0.223775 -2.032345 0.522454
C -1.745662 -1.878458 0.702707
C -2.122097 -0.885231 1.809180
C -3.526000 -0.292947 1.583488
C 0.093621 -3.180298 -0.445063
C 1.760508 -0.462802 0.052349
C -3.049513 2.033368 0.907641
C -4.808205 0.737838 -0.273065
C -0.248999 0.287829 -0.678240
C 1.891745 0.805165 -0.617643
C 2.878834 -1.120450 0.592851
C 3.155126 1.411381 -0.743467
C -2.686180 2.934706 -0.270943
C -5.001347 -0.509925 -1.136650
C 4.253784 0.753049 -0.207443
C 4.108794 -0.502371 0.454651
C 5.622524 1.347894 -0.311976
H 0.251537 -2.246427 1.519177
H -2.185384 -2.870029 0.922841
H -2.212486 -1.561101 -0.255908
H -1.379252 -0.061777 1.860411
H -2.086715 -1.382510 2.796245
H -4.240209 -1.113861 1.354453
H -3.889110 0.173247 2.524557
H 1.173655 -3.270483 -0.621915
H -0.371817 -3.027961 -1.426971
H -0.258734 -4.140757 -0.055378
H -3.817101 2.528594 1.541294
H -2.146259 1.895500 1.545917
H -5.665052 0.860286 0.423300
H -4.805893 1.637711 -0.932032
H -1.328102 0.318679 -0.837650
H 2.775474 -2.074662 1.098865
H 3.240567 2.369071 -1.251490
H -1.857830 2.512144 -0.860722
H -3.526977 3.080032 -0.958725
H -2.358495 3.920209 0.077186
H -4.152971 -0.646697 -1.820286
H -5.079270 -1.420686 -0.532839
H -5.909564 -0.429581 -1.742926
H 4.999387 -0.979744 0.859540
H 6.058346 1.521048 0.681746
H 6.304353 0.683100 -0.860318
H 5.624001 2.312559 -0.836093


%chk=000211878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211878

0 1
N 0.433936 -0.789326 -0.019241
N -3.555021 0.685042 0.427354
N 0.683093 1.247965 -1.052988
C -0.194765 -2.046471 0.463222
C -1.711923 -1.855448 0.692089
C -2.082830 -0.842650 1.801608
C -3.496571 -0.252030 1.590735
C 0.092130 -3.203966 -0.523316
C 1.806454 -0.484775 0.041748
C -3.122138 2.058629 0.835553
C -4.898803 0.688144 -0.222157
C -0.178080 0.280064 -0.690032
C 1.945726 0.789300 -0.604965
C 2.914860 -1.163706 0.592257
C 3.218293 1.398272 -0.705466
C -2.747517 2.985021 -0.336671
C -5.153258 -0.557829 -1.090868
C 4.340882 0.735701 -0.161678
C 4.170787 -0.534408 0.479427
C 5.729059 1.351903 -0.246295
H 0.284061 -2.278620 1.437262
H -2.137352 -2.848915 0.933943
H -2.185082 -1.536467 -0.256474
H -1.345278 -0.018189 1.827199
H -2.038164 -1.333802 2.794388
H -4.204009 -1.082646 1.408286
H -3.838538 0.255778 2.525816
H 1.173840 -3.305989 -0.718326
H -0.414612 -3.021651 -1.488190
H -0.278455 -4.160041 -0.110901
H -3.911757 2.545144 1.464314
H -2.232683 1.945406 1.482707
H -5.713176 0.793651 0.539374
H -4.958707 1.580789 -0.869150
H -1.256506 0.321400 -0.843735
H 2.819607 -2.135148 1.089790
H 3.319789 2.370831 -1.198644
H -1.896350 2.580515 -0.909284
H -3.591713 3.149667 -1.030046
H -2.446963 3.974168 0.056238
H -4.387777 -0.632856 -1.883451
H -5.126737 -1.491840 -0.500049
H -6.148475 -0.494998 -1.569286
H 5.054608 -1.032832 0.897032
H 6.163097 1.509549 0.759474
H 6.428024 0.699030 -0.803198
H 5.705295 2.329635 -0.757506


