%chk=000201951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201951

0 1
N 2.001981 0.965194 0.119515
N 4.827978 0.326860 0.206745
N -5.140853 -0.377985 -0.211392
N -2.791189 0.080473 -0.132631
N -4.424430 1.405034 1.141208
N -2.034220 1.979548 1.165806
N -3.607191 3.178245 2.472529
C -4.942428 -1.612887 -1.025700
C -4.731211 -2.842447 -0.118087
C -6.161075 -1.790450 -1.954164
C -6.007118 -3.260663 0.620005
C -7.426728 -2.234378 -1.210442
C -7.170018 -3.482642 -0.355937
C 3.022933 2.011378 0.453406
C 2.482097 -0.370438 0.603128
C 4.351955 1.669758 -0.250448
C 3.807337 -0.723266 -0.101245
C 0.666848 1.309926 0.707684
C -0.417929 0.640036 -0.152586
C 6.195710 0.002009 -0.012583
C -4.092979 0.362954 0.277213
C -1.812860 0.921185 0.327901
C 6.628189 -1.345596 0.013528
C 7.167322 1.024027 -0.135607
C -3.357270 2.171687 1.562428
C 7.985319 -1.648054 -0.072179
C 8.519420 0.699362 -0.219928
C 8.940372 -0.633800 -0.192509
H -4.019348 -1.467367 -1.655035
H -3.919819 -2.633192 0.607195
H -4.365585 -3.681391 -0.741736
H -5.899919 -2.544407 -2.723588
H -6.356296 -0.851325 -2.507928
H -5.817667 -4.185555 1.197473
H -6.281149 -2.490932 1.366957
H -7.802604 -1.412254 -0.571933
H -8.233343 -2.437892 -1.940866
H -8.085825 -3.751781 0.202856
H -6.948026 -4.346347 -1.012075
H 3.193578 2.116928 1.547270
H 2.655967 2.990721 0.076742
H 1.716718 -1.133025 0.342627
H 2.622188 -0.406282 1.706137
H 5.111180 2.441474 0.010726
H 4.213234 1.696699 -1.354799
H 3.640826 -0.818113 -1.197877
H 4.166406 -1.709986 0.269630
H -6.068651 -0.217690 0.183348
H 0.518989 2.413989 0.685333
H 0.556450 1.008730 1.771327
H -0.323499 0.986039 -1.209409
H -0.255792 -0.459986 -0.207408
H 5.905138 -2.151905 0.116109
H 6.865591 2.069119 -0.149686
H 8.304111 -2.689936 -0.046492
H 9.256708 1.496921 -0.310056
H 9.995293 -0.878201 -0.262066
H -2.877788 3.838409 2.692912
H -4.559928 3.435370 2.678954


%chk=000201951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201951

0 1
N 1.921720 1.014373 0.126363
N 4.717710 0.221620 0.137737
N -5.135236 -0.330991 -0.297027
N -2.853053 0.257602 -0.435909
N -4.512470 1.732207 0.602013
N -2.163811 2.402394 0.469056
N -3.775913 3.783648 1.461724
C -4.934031 -1.623806 -0.989098
C -4.381097 -2.712715 -0.027895
C -6.270023 -2.079227 -1.626897
C -5.422617 -3.144545 1.030055
C -7.315300 -2.527725 -0.573173
C -6.737578 -3.617008 0.362981
C 2.863524 1.548616 1.139613
C 2.329578 -0.362571 -0.239062
C 4.294456 1.570697 0.579713
C 3.762038 -0.391844 -0.804461
C 0.510871 1.108861 0.575217
C -0.491543 0.941932 -0.591178
C 6.094661 -0.102914 0.057262
C -4.140897 0.570287 -0.036932
C -1.916581 1.214431 -0.160630
C 6.603905 -0.975960 -0.953929
C 7.026387 0.402431 1.017908
C -3.483739 2.602889 0.827461
C 7.968614 -1.334336 -0.985151
C 8.387390 0.044943 0.969336
C 8.877700 -0.830364 -0.028993
H -4.180586 -1.445299 -1.777807
H -3.459901 -2.330662 0.447654
H -4.090501 -3.591575 -0.640004
H -6.047978 -2.937072 -2.291725
H -6.676098 -1.271704 -2.266436
H -5.004084 -3.949529 1.664002
H -5.638505 -2.290262 1.704146
H -7.649470 -1.661601 0.037285
H -8.220375 -2.903197 -1.087985
H -7.483567 -3.891803 1.133547
H -6.535997 -4.533114 -0.230453
H 2.850028 0.937731 2.078951
H 2.560675 2.580844 1.395405
H 1.644049 -0.756152 -1.010137
H 2.277566 -1.045482 0.648679
H 4.977319 1.946043 1.356795
H 4.328785 2.281330 -0.277624
H 3.775483 0.128641 -1.790306
H 4.040347 -1.447319 -0.966724
H -6.067111 -0.063805 0.024703
H 0.351275 2.110915 1.011278
H 0.279531 0.358699 1.374651
H -0.206210 1.662652 -1.381158
H -0.462356 -0.072125 -1.022135
H 5.945147 -1.362801 -1.736563
H 6.685394 1.055651 1.827301
H 8.322969 -2.004951 -1.777192
H 9.069510 0.446638 1.728174
H 9.936445 -1.107580 -0.060285
H -3.025008 4.448035 1.629103
H -4.734345 3.977835 1.739054


