%chk=000206450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206450

0 1
N -0.541654 0.871198 0.175623
N 2.351144 0.632580 0.407672
N -4.060872 -0.517032 0.656374
N 8.745659 -0.280008 -0.333378
C 0.120032 -0.477914 0.332765
C -1.929066 0.923712 0.781655
C -0.682548 -1.576854 -0.411437
C 1.541002 -0.419696 -0.284998
C 0.299232 1.936488 0.822201
C -2.678702 -0.328990 0.443100
C -2.119145 -1.491287 -0.066717
C 1.701641 1.966204 0.189039
C -3.172538 -2.462614 -0.202014
C -2.655866 2.139140 0.226310
C 3.768989 0.638964 -0.079031
C -4.382770 -1.823139 0.245581
C 4.537827 -0.494136 0.629536
C -3.229030 -3.794942 -0.648621
C -3.310080 3.016500 1.102442
C -2.694325 2.373396 -1.155579
C -5.622253 -2.493822 0.245732
C -4.449699 -4.448910 -0.645527
C -5.633554 -3.802841 -0.203020
C 5.999676 -0.423509 0.297026
C -4.001665 4.120717 0.595287
C -3.385072 3.479383 -1.656750
C -4.040898 4.353319 -0.782937
C 6.515194 -1.103954 -0.816752
C 6.877921 0.331735 1.089327
C 7.886911 -1.007446 -1.095146
C 8.236342 0.376364 0.742480
H 0.204120 -0.759241 1.414737
H -1.876347 0.995190 1.906798
H -0.270686 -2.573914 -0.161467
H -0.570862 -1.456808 -1.511788
H 2.039004 -1.401378 -0.135401
H 1.466665 -0.250491 -1.381973
H 0.393026 1.798583 1.922544
H -0.198467 2.916987 0.648565
H 1.625219 2.242993 -0.885339
H 2.312274 2.746432 0.691530
H 3.859813 0.531873 -1.180999
H 4.236836 1.613891 0.183876
H -4.707798 0.194340 0.935560
H 4.114668 -1.480148 0.349467
H 4.372123 -0.417934 1.726673
H -2.322389 -4.289669 -0.987881
H -3.279650 2.847899 2.176723
H -2.173409 1.687511 -1.827721
H -6.524995 -1.997820 0.584382
H -4.517070 -5.479374 -0.987223
H -6.568766 -4.360969 -0.221952
H -4.508702 4.801749 1.276373
H -3.412934 3.660245 -2.730092
H -4.579554 5.213467 -1.175441
H 5.866857 -1.697487 -1.454918
H 6.514524 0.872999 1.958950
H 8.329253 -1.524805 -1.954484
H 8.955215 0.952972 1.336257


%chk=000206450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206450

0 1
N -0.536077 0.826134 0.181476
N 2.369046 0.628482 0.409842
N -4.060946 -0.495831 0.586857
N 8.845917 -0.175657 -0.399330
C 0.125666 -0.504939 0.384907
C -1.919394 0.917811 0.749788
C -0.652849 -1.651313 -0.311726
C 1.559931 -0.458874 -0.184516
C 0.298185 1.924083 0.743101
C -2.674857 -0.346984 0.425146
C -2.125311 -1.534739 -0.037201
C 1.706630 1.927545 0.140078
C -3.214257 -2.480028 -0.188085
C -2.662133 2.154383 0.222557
C 3.785451 0.612027 -0.018783
C -4.422430 -1.796104 0.210152
C 4.596665 -0.535246 0.646677
C -3.299716 -3.831632 -0.614196
C -3.366290 3.002745 1.110556
C -2.694206 2.428211 -1.167870
C -5.686391 -2.422454 0.184029
C -4.559875 -4.461992 -0.639776
C -5.740422 -3.765051 -0.246470
C 6.071018 -0.439665 0.300037
C -4.099467 4.109446 0.618814
C -3.419924 3.533368 -1.659930
C -4.128238 4.376370 -0.768358
C 6.600360 -1.034994 -0.873682
C 6.974624 0.293183 1.111788
C 7.971369 -0.880087 -1.179127
C 8.331294 0.396330 0.731075
H 0.194592 -0.729935 1.479649
H -1.867400 1.016569 1.869320
H -0.252195 -2.618550 0.052072
H -0.457040 -1.613955 -1.403610
H 2.039624 -1.432082 0.024876
H 1.488709 -0.343564 -1.297807
H 0.389908 1.826801 1.854496
H -0.200340 2.885309 0.524394
H 1.634013 2.136254 -0.957383
H 2.299803 2.736378 0.605578
H 3.889947 0.537140 -1.131833
H 4.239755 1.575946 0.279896
H -4.700305 0.257016 0.835461
H 4.197654 -1.513143 0.318442
H 4.442707 -0.463712 1.738508
H -2.400359 -4.377878 -0.921366
H -3.328468 2.807392 2.190368
H -2.134819 1.771589 -1.842910
H -6.596717 -1.892337 0.486115
H -4.639728 -5.504689 -0.967281
H -6.705930 -4.282326 -0.278717
H -4.637385 4.762637 1.315209
H -3.437720 3.739995 -2.736111
H -4.692230 5.233944 -1.152206
H 5.956552 -1.620576 -1.540284
H 6.628658 0.772384 2.034966
H 8.399486 -1.334930 -2.080039
H 9.045656 0.953497 1.348363


