%chk=000248734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248734

0 1
S 0.219562 -0.276134 -0.735503
S 2.753294 1.042453 0.012954
S -2.671691 1.212112 0.120509
F -1.680980 -5.354844 -2.084773
F 7.571318 -1.061708 1.875742
F -7.651376 -0.251536 2.198226
N -1.088435 3.136424 1.062210
N 0.021368 3.734301 1.337820
C 0.091133 1.248132 0.122819
C -0.322647 -1.491527 0.516382
C 1.294331 1.901495 0.431915
C -0.034965 -2.812895 -0.116338
C 4.105439 2.098626 0.633082
C -1.104256 1.898048 0.451174
C 5.334905 1.308939 0.319786
C -3.848248 2.421095 0.812563
C -5.184683 1.811080 0.552932
C -1.041222 -3.478716 -0.833773
C 1.239992 -3.391631 0.006429
C 1.231132 3.164748 1.043034
C 5.888443 0.461076 1.292171
C 5.937014 1.413919 -0.945459
C -5.803877 1.034042 1.544800
C -5.825407 2.014181 -0.681216
C -0.728585 -4.714788 -1.403204
C 1.514417 -4.630923 -0.579113
C 7.039169 -0.254864 0.955779
C 7.088669 0.679483 -1.244600
C -7.056353 0.486764 1.259177
C -7.079423 1.448189 -0.930058
C 0.528428 -5.316277 -1.295097
C 7.661270 -0.169289 -0.293068
C -7.717829 0.672437 0.041845
H 0.230130 -1.348100 1.465152
H -1.397480 -1.356543 0.753153
H 3.997022 2.293780 1.717671
H 4.104422 3.084082 0.127286
H -3.646794 2.595880 1.890047
H -3.720580 3.412227 0.327669
H -2.032165 -3.040522 -0.947896
H 2.023707 -2.868270 0.553628
H 2.112505 3.751034 1.312473
H 5.431736 0.360616 2.275579
H 5.502782 2.065481 -1.703104
H -5.320763 0.862649 2.505714
H -5.342045 2.613425 -1.452436
H 2.508287 -5.068575 -0.477824
H 7.545602 0.768545 -2.231264
H -7.565617 1.612678 -1.892582
H 0.736208 -6.281693 -1.751985
H 8.558326 -0.742419 -0.520181
H -8.694291 0.230011 -0.146047


%chk=000248734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248734

0 1
S 0.405142 -0.478134 -1.048863
S 3.140457 1.040288 -0.190871
S -2.448812 0.890326 -0.212056
F -3.336087 -4.763004 -1.526422
F 8.183577 -0.501819 2.085110
F -7.473668 -0.725249 2.147180
N -0.978908 2.903959 0.919591
N 0.175384 3.567682 1.255246
C 0.350274 1.104234 -0.119985
C 0.020916 -1.693806 0.421572
C 1.535351 1.788525 0.237138
C -0.363216 -3.039484 -0.133136
C 4.370617 2.290154 0.610627
C -0.886196 1.712139 0.241522
C 5.770928 1.763268 0.413515
C -3.704100 2.098461 0.616020
C -5.092308 1.540719 0.427271
C -1.690186 -3.268822 -0.582025
C 0.590584 -4.087280 -0.215137
C 1.384977 3.032309 0.920781
C 6.330291 0.862351 1.355423
C 6.538770 2.153319 -0.714482
C -5.639747 0.650622 1.386954
C -5.868395 1.896169 -0.707251
C -2.016230 -4.535713 -1.086886
C 0.226511 -5.352108 -0.730247
C 7.633775 0.388645 1.141449
C 7.848664 1.656645 -0.898975
C -6.936185 0.153291 1.183766
C -7.170362 1.376006 -0.881533
C -1.092970 -5.593041 -1.174324
C 8.416776 0.761456 0.035605
C -7.724998 0.490787 0.070896
H 0.935451 -1.732856 1.031685
H -0.800107 -1.220287 0.982212
H 4.106993 2.369327 1.677702
H 4.226955 3.261136 0.110494
H -3.403319 2.182634 1.670395
H -3.556671 3.073839 0.130521
H -2.446321 -2.477988 -0.544217
H 1.617097 -3.910193 0.124805
H 2.237790 3.641430 1.227604
H 5.768175 0.532607 2.234867
H 6.109028 2.844317 -1.448077
H -5.073203 0.350579 2.274159
H -5.449010 2.580583 -1.452851
H 0.968965 -6.154764 -0.785905
H 8.432745 1.966733 -1.771330
H -7.759442 1.659399 -1.759775
H -1.403122 -6.561998 -1.575686
H 9.428912 0.364226 -0.081662
H -8.730642 0.075077 -0.038216


