%chk=000220588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220588

0 1
N -0.966671 1.801775 0.033071
N -0.136936 1.892107 -1.050531
N -3.843525 -4.114969 -0.333751
N 6.988301 -0.477591 0.525788
C -0.860740 0.645145 0.987133
C 0.627471 0.260651 1.148666
C 1.295137 0.012648 -0.218705
C -1.686059 -0.567268 0.598938
C 2.791674 -0.103014 -0.067814
C 0.907516 1.127070 -1.165321
C -2.193807 2.544911 -0.073951
C -2.152622 -1.411821 1.618868
C -1.985114 -0.891666 -0.730224
C 3.413663 -1.356733 -0.145535
C 3.583899 1.031015 0.166575
C -2.899742 -2.548480 1.326057
C -2.733887 -2.024921 -1.040183
C -3.202022 -2.879584 -0.016269
C 4.793712 -1.481403 -0.001245
C 4.963940 0.922526 0.311642
C 5.595323 -0.341052 0.234761
C -3.310994 2.201534 0.712694
C -2.253383 3.681588 -0.912865
C -4.457320 2.999270 0.669431
C -3.408790 4.457115 -0.944563
C -4.515450 4.126063 -0.152357
C -4.693870 -4.709480 0.735398
C -4.515425 -4.185810 -1.661615
C 7.825924 0.734966 0.305644
C 7.653923 -1.697032 -0.013003
H -1.227866 1.035912 1.978518
H 0.715559 -0.640599 1.783393
H 1.161155 1.069246 1.687008
H 0.883907 -0.942678 -0.646370
H 1.562180 1.298219 -2.027040
H -1.929199 -1.180445 2.660673
H -1.640845 -0.250510 -1.543946
H 2.815248 -2.250897 -0.321659
H 3.112922 2.013199 0.233033
H -3.237076 -3.185366 2.140334
H -2.944539 -2.246720 -2.084118
H 5.243437 -2.469838 -0.058427
H 5.548058 1.820565 0.499232
H -3.309192 1.316140 1.343298
H -1.396669 3.949735 -1.532173
H -5.316127 2.730167 1.283386
H -3.449844 5.332602 -1.591880
H -5.410551 4.740133 -0.180595
H -5.567636 -4.094912 1.002116
H -4.085962 -4.869284 1.643421
H -5.049183 -5.701425 0.411644
H -5.360047 -3.487780 -1.770768
H -4.883120 -5.210673 -1.832424
H -3.780109 -3.973681 -2.458032
H 7.434921 1.567637 0.916911
H 7.869466 1.062139 -0.744632
H 8.852761 0.538906 0.654752
H 7.141479 -2.596096 0.372738
H 8.692066 -1.740147 0.354622
H 7.669478 -1.747407 -1.112648


%chk=000220588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220588

0 1
N -1.146587 1.814454 -0.142561
N -0.228151 2.025490 -1.165426
N -3.926523 -4.139373 -0.311831
N 6.954882 -0.570520 0.273773
C -0.978481 0.736218 0.869169
C 0.536920 0.438757 1.046898
C 1.211134 0.126833 -0.317912
C -1.783117 -0.526621 0.537208
C 2.720033 -0.052512 -0.191796
C 0.831846 1.251476 -1.268371
C -2.258793 2.701343 -0.105075
C -2.064373 -1.470389 1.556042
C -2.244818 -0.813273 -0.769167
C 3.312334 -1.338709 -0.214373
C 3.584381 1.057760 -0.009612
C -2.767571 -2.660179 1.290465
C -2.949808 -1.997520 -1.056897
C -3.227065 -2.958105 -0.032877
C 4.700719 -1.522445 -0.061761
C 4.974161 0.899003 0.142641
C 5.571575 -0.402170 0.122496
C -3.345914 2.464792 0.783407
C -2.299857 3.843581 -0.954318
C -4.431697 3.365532 0.831989
C -3.393774 4.728740 -0.896584
C -4.467824 4.505693 -0.001199
C -4.211582 -5.095619 0.762907
C -4.400345 -4.405362 -1.674426
C 7.820704 0.599360 0.452273
C 7.536516 -1.916220 0.247740
H -1.336779 1.144202 1.835245
H 0.660157 -0.411944 1.738778
H 1.032081 1.318757 1.500188
H 0.779516 -0.823363 -0.699345
H 1.488751 1.487064 -2.113907
H -1.732001 -1.273382 2.584567
H -2.066326 -0.090075 -1.573189
H 2.673814 -2.220297 -0.357882
H 3.162510 2.071121 0.006129
H -2.964886 -3.352599 2.113807
H -3.292903 -2.167569 -2.081207
H 5.105341 -2.538142 -0.091303
H 5.595578 1.789420 0.275285
H -3.372457 1.569436 1.410755
H -1.469504 4.013183 -1.642421
H -5.259576 3.162524 1.521409
H -3.404281 5.605068 -1.555564
H -5.313667 5.200272 0.040400
H -4.834401 -4.647161 1.564931
H -3.281874 -5.480193 1.231270
H -4.761911 -5.956555 0.351299
H -5.117738 -3.633642 -2.023066
H -4.913346 -5.379835 -1.700916
H -3.563421 -4.442810 -2.401772
H 7.559886 1.173009 1.365964
H 7.762322 1.294329 -0.411188
H 8.867474 0.270021 0.549210
H 7.129104 -2.558883 1.055735
H 8.626880 -1.847817 0.389625
H 7.351532 -2.430456 -0.718562


