%chk=000290672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290672

0 1
S -0.012954 4.032763 -1.576724
P 0.362608 2.185112 -1.070364
N 0.466320 -0.394892 -2.085154
N 2.197319 0.456787 -0.561366
N -1.864547 2.028714 0.137445
C -0.127251 0.923330 -2.385707
C 2.211262 1.910583 -0.829081
C 1.923160 -0.359992 -1.798809
C -0.484764 1.691510 0.533925
C -0.349133 -1.298235 -1.312154
C 3.348102 0.020157 0.215962
C 0.132773 -1.986251 -0.183472
C 4.512834 -0.512502 -0.360103
C -1.647633 -1.577185 -1.794674
C 3.231127 0.125898 1.613871
C -2.936477 1.289103 0.727485
C -0.659799 -2.964351 0.424522
C 5.549595 -0.952237 0.467886
C -2.427767 -2.545701 -1.167654
C 4.277963 -0.312268 2.426338
C -1.936985 -3.250074 -0.060595
C 5.436329 -0.853761 1.857614
C -2.778418 -0.036984 1.172109
C -4.214880 1.891930 0.758907
C -3.887418 -0.748549 1.630866
C -5.309069 1.162470 1.219396
C -5.153509 -0.156842 1.660543
H 0.216666 1.259464 -3.392522
H -1.242922 0.871815 -2.449608
H 2.599576 2.495869 0.033015
H 2.800265 2.240106 -1.710734
H 2.280374 -1.408088 -1.644950
H 2.436170 0.039416 -2.707700
H -0.343791 0.604161 0.748042
H -0.093336 2.248424 1.409177
H -2.036253 3.051005 0.152447
H 1.115371 -1.768318 0.230810
H 4.621917 -0.579887 -1.439542
H -2.035419 -1.046098 -2.662578
H 2.325108 0.539275 2.053894
H -0.273383 -3.503394 1.289196
H 6.453314 -1.369955 0.024238
H -3.429004 -2.756877 -1.543811
H 4.190512 -0.234131 3.509995
H -2.548421 -4.011883 0.415448
H 6.247948 -1.196215 2.496901
H -1.801368 -0.518520 1.137567
H -4.349836 2.914228 0.414212
H -3.759989 -1.777806 1.965854
H -6.294887 1.626678 1.238191
H -6.011300 -0.716102 2.021846


%chk=000290672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290672

0 1
S -0.309916 4.269016 -1.666583
P 0.322698 2.312858 -1.209848
N 0.662970 -0.262526 -2.259616
N 2.634399 0.673149 -1.063195
N -1.866351 2.023982 0.370448
C -0.029471 0.987480 -2.565572
C 2.228291 2.073106 -1.126550
C 2.133369 -0.138298 -2.199922
C -0.471729 1.633488 0.385922
C -0.024763 -1.371381 -1.673772
C 3.215230 0.103335 0.103704
C 0.616568 -2.238083 -0.742736
C 4.014193 -1.074968 0.008591
C -1.371430 -1.654314 -2.043078
C 3.052663 0.701733 1.386771
C -2.893816 1.353902 1.054490
C -0.067802 -3.354511 -0.214782
C 4.605965 -1.638097 1.157532
C -2.050994 -2.758235 -1.491189
C 3.664741 0.138673 2.526360
C -1.406332 -3.622950 -0.576065
C 4.439402 -1.038635 2.427770
C -2.675399 0.151518 1.787128
C -4.214054 1.894927 1.006020
C -3.754222 -0.488955 2.434935
C -5.276932 1.248372 1.664324
C -5.060620 0.047393 2.384070
H 0.330822 1.441759 -3.507700
H -1.119172 0.867619 -2.624629
H 2.643254 2.672142 -0.303583
H 2.567434 2.530966 -2.078141
H 2.576579 -1.141840 -2.176826
H 2.449405 0.364829 -3.136654
H -0.354048 0.535681 0.373384
H 0.107845 2.038527 1.244226
H -2.056694 2.963079 -0.002270
H 1.634526 -2.035506 -0.396819
H 4.216269 -1.528975 -0.967435
H -1.888074 -1.029478 -2.778963
H 2.437259 1.598903 1.509307
H 0.449439 -4.003718 0.500917
H 5.219047 -2.540474 1.052815
H -3.088540 -2.947453 -1.787768
H 3.520928 0.620196 3.500288
H -1.938048 -4.481147 -0.152861
H 4.907169 -1.474835 3.315951
H -1.674849 -0.287785 1.856465
H -4.394944 2.821345 0.446418
H -3.564849 -1.415159 2.990216
H -6.281625 1.684286 1.614156
H -5.889695 -0.453239 2.894747


