%chk=000196614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196614

0 1
O -0.878965 -1.791046 0.676995
O 3.146860 -0.846410 -2.712997
N -3.063878 -0.048352 0.332621
N -5.712330 -0.288176 -0.831189
N 0.717691 -0.196051 0.428353
N 2.496618 0.996754 -1.582246
N 0.706822 1.887512 1.591030
C -3.291664 -0.845715 -0.917947
C -4.057101 1.076028 0.411571
C -4.723609 -1.414687 -0.908989
C -5.482316 0.488158 0.432063
C -1.676534 0.508590 0.382676
C -0.663528 -0.610778 0.543768
C -7.108366 -0.817476 -0.869694
C 1.789871 -1.163364 0.573785
C 1.164248 1.170583 0.528303
C 2.818695 -1.191003 -0.384006
C 2.071846 1.716256 -0.431722
C 2.819715 -0.383605 -1.632395
C 1.801495 -2.050756 1.663786
C 3.871896 -2.110410 -0.224907
C 2.510380 3.039523 -0.221537
C 2.586646 1.764103 -2.855303
C 2.854349 -2.953548 1.802505
C 3.896828 -2.976698 0.866255
C 2.039834 3.768345 0.869175
C 1.124697 3.166940 1.747475
H -2.568972 -1.695085 -0.918902
H -3.126379 -0.255632 -1.844348
H -3.963975 1.795859 -0.430832
H -3.880271 1.635435 1.354764
H -4.900678 -1.968993 -1.854990
H -4.827924 -2.141991 -0.073580
H -5.619815 -0.124983 1.349827
H -6.219513 1.317487 0.472273
H -1.410892 1.142376 -0.493297
H -1.610470 1.164036 1.291960
H -7.813259 0.028963 -0.854009
H -7.369853 -1.502267 -0.049592
H -7.263015 -1.345885 -1.824332
H 0.975498 -2.043660 2.378811
H 4.663344 -2.146904 -0.978982
H 3.223402 3.494030 -0.911830
H 1.745437 2.466248 -2.954661
H 2.551790 1.062918 -3.716404
H 3.539950 2.313118 -2.917527
H 2.864515 -3.646473 2.645265
H 4.718328 -3.681897 0.983533
H 2.378472 4.789223 1.039359
H 0.713781 3.704257 2.610565


%chk=000196614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196614

0 1
O -0.901399 -1.866613 0.701819
O 3.367303 -0.824527 -2.656331
N -3.017737 -0.013311 0.270144
N -5.688928 -0.251238 -0.821682
N 0.746537 -0.223173 0.537701
N 2.337673 0.951692 -1.585409
N 0.733814 1.875752 1.678837
C -3.262396 -0.758337 -0.989634
C -4.019601 1.063648 0.454591
C -4.687207 -1.332005 -0.997971
C -5.440500 0.476964 0.444658
C -1.647882 0.477529 0.419921
C -0.611275 -0.649122 0.585204
C -7.073702 -0.750122 -0.918008
C 1.827177 -1.177758 0.644970
C 1.142532 1.158036 0.601053
C 2.854446 -1.194112 -0.335962
C 1.968825 1.699609 -0.430359
C 2.856220 -0.367872 -1.587444
C 1.859585 -2.082133 1.731203
C 3.911995 -2.134575 -0.203730
C 2.352927 3.061574 -0.301377
C 2.429058 1.677459 -2.878646
C 2.917937 -3.004282 1.849444
C 3.952184 -3.027844 0.882286
C 1.917605 3.811880 0.809113
C 1.101034 3.183292 1.775031
H -2.538309 -1.587144 -1.053342
H -3.133995 -0.092918 -1.881860
H -3.949641 1.837458 -0.352607
H -3.835454 1.560777 1.426018
H -4.874526 -1.833200 -1.966145
H -4.765691 -2.099895 -0.187487
H -5.557424 -0.193195 1.334954
H -6.177321 1.297908 0.533502
H -1.313319 1.127344 -0.435368
H -1.588795 1.111282 1.324145
H -7.781319 0.095504 -0.842031
H -7.334223 -1.492357 -0.120282
H -7.225808 -1.236657 -1.898438
H 1.047033 -2.064795 2.460996
H 4.675867 -2.158887 -0.986797
H 2.988024 3.523732 -1.062834
H 1.654123 2.459799 -2.910251
H 2.271013 0.953325 -3.691128
H 3.427269 2.129987 -3.029199
H 2.934253 -3.704737 2.691256
H 4.774804 -3.744915 0.971250
H 2.208346 4.860071 0.926632
H 0.728567 3.726001 2.650094


