%chk=000231124.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231124

0 1
S -2.598198 -1.201298 0.097578
S 3.451940 0.318618 -0.027764
N -1.265502 1.903329 0.294402
N 0.971876 2.418325 0.220199
N 0.035919 -1.615615 -0.028515
N 1.316376 -1.310726 -0.057114
C -0.587920 0.690477 0.161079
C 0.819677 1.033960 0.126530
C -2.725540 2.128494 0.310456
C -0.274716 2.919873 0.308142
C -0.932717 -0.681964 0.076361
C 1.751722 -0.030217 0.015210
C -3.286134 2.228984 -1.103669
C -2.502812 -3.027878 0.027360
C 4.231736 -1.327987 -0.171730
C -3.932402 -3.516718 0.052190
C 5.721611 -1.071741 -0.212190
H -3.219534 1.299305 0.873901
H -2.931415 3.063593 0.882169
H -0.522236 3.970130 0.393920
H -2.834704 3.050782 -1.673123
H -4.370781 2.393586 -1.084930
H -3.110713 1.306429 -1.678033
H -1.963384 -3.338943 -0.889364
H -1.910225 -3.404868 0.884320
H 3.937001 -1.964298 0.685457
H 3.867990 -1.842410 -1.082543
H -4.464109 -3.219104 0.966874
H -4.517580 -3.152967 -0.804025
H -3.963684 -4.616067 0.012081
H 6.018216 -0.451224 -1.069687
H 6.087100 -0.572977 0.696651
H 6.274343 -2.018482 -0.298989


%chk=000231124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231124

0 1
S -2.708889 -1.160471 0.155255
S 3.513120 0.431330 -0.027259
N -1.274593 1.978964 0.291631
N 0.965840 2.491088 0.227495
N -0.008511 -1.578384 -0.004861
N 1.346205 -1.255405 -0.046282
C -0.594323 0.757079 0.171305
C 0.792247 1.100592 0.136131
C -2.734439 2.230338 0.300832
C -0.286787 2.971416 0.316112
C -0.962965 -0.616450 0.101670
C 1.743353 0.046119 0.024170
C -3.340801 2.262666 -1.116578
C -2.492143 -3.049102 0.012968
C 4.233804 -1.327597 -0.165505
C -3.882201 -3.695753 0.031352
C 5.762699 -1.214404 -0.215337
H -3.219018 1.449994 0.912378
H -2.891494 3.197199 0.812238
H -0.540185 4.026485 0.404220
H -2.861802 3.040675 -1.736271
H -4.421134 2.484275 -1.053789
H -3.221602 1.286960 -1.617258
H -1.940866 -3.236623 -0.920736
H -1.859436 -3.361867 0.857035
H 3.875812 -1.895562 0.706805
H 3.808936 -1.784060 -1.072525
H -4.422207 -3.479494 0.970099
H -4.503916 -3.354301 -0.815063
H -3.772672 -4.792736 -0.050411
H 6.099815 -0.629326 -1.089350
H 6.165518 -0.738122 0.696091
H 6.203836 -2.225120 -0.293357


