%chk=000211233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211233

0 1
I 2.542640 0.348436 2.667028
I 3.066117 -0.016977 -3.356635
I 7.984234 0.987096 -0.175908
O -3.655435 -0.831868 -0.556455
O -2.251577 2.290903 0.082498
O -3.346713 1.137588 1.663561
O 0.877140 0.970251 -0.482752
N 1.255686 -1.317794 -0.374700
N 5.764369 0.788320 2.270893
C -5.080802 0.973480 -1.065067
C -6.040357 0.594496 0.069435
C -3.625151 0.600569 -0.768450
C -7.488363 0.962244 -0.275962
C -8.443314 0.588004 0.855229
C -3.112454 1.301657 0.495360
C -2.464935 -1.528992 -0.489550
C -1.193271 -0.951267 -0.504729
C -0.086305 -1.809378 -0.398590
C -2.668623 -2.919133 -0.390746
C -0.256725 -3.206677 -0.303222
C -1.548697 -3.740864 -0.300381
C 3.149133 0.219237 -0.295994
C 1.641780 0.037584 -0.394871
C 3.750810 0.398405 0.945358
C 3.919397 0.248037 -1.459482
C 5.154066 0.627094 1.049411
C 5.298939 0.472858 -1.390926
C 5.907841 0.656564 -0.159097
H -5.389205 0.455660 -1.998592
H -5.138347 2.060246 -1.279146
H -5.955907 -0.493686 0.272986
H -5.735245 1.087356 1.015278
H -2.953510 0.829675 -1.632731
H -7.564699 2.047480 -0.484215
H -7.797166 0.450583 -1.208690
H -8.420021 -0.488182 1.063298
H -9.476725 0.853039 0.606678
H -8.186016 1.104062 1.787866
H -1.042002 0.129103 -0.589785
H -3.678755 -3.317995 -0.380893
H 0.597885 -3.871026 -0.227838
H -1.679923 -4.821718 -0.224168
H 1.992624 -2.028519 -0.317674
H -1.808823 2.774808 0.829657
H 5.893862 0.502878 -2.314197
H 5.220627 0.824405 3.125693
H 6.753117 1.000156 2.333317


%chk=000211233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211233

0 1
I 2.612504 0.408283 2.651857
I 3.138434 -0.167137 -3.500730
I 8.101716 1.044451 -0.171594
O -3.656941 -0.940109 -0.475435
O -2.870093 2.506854 0.530997
O -3.046543 0.603559 1.860871
O 0.903282 0.981748 -0.569906
N 1.295171 -1.337620 -0.421814
N 5.814784 0.933611 2.209581
C -5.033018 0.986402 -0.959121
C -6.116285 0.665812 0.093188
C -3.610300 0.518654 -0.576665
C -7.527848 1.071656 -0.387711
C -8.620611 0.783256 0.663952
C -3.150041 1.150445 0.747608
C -2.448166 -1.659323 -0.429034
C -1.173278 -1.051478 -0.463432
C -0.023409 -1.880376 -0.421932
C -2.592443 -3.065310 -0.362953
C -0.150005 -3.291507 -0.358328
C -1.436831 -3.869505 -0.329542
C 3.196956 0.177162 -0.388412
C 1.686104 -0.007965 -0.472787
C 3.818977 0.425054 0.856929
C 3.998247 0.179442 -1.557757
C 5.223140 0.686366 0.988275
C 5.385918 0.424721 -1.478952
C 5.977933 0.672685 -0.229546
H -5.285796 0.494859 -1.918194
H -4.989231 2.076318 -1.145126
H -6.095130 -0.416263 0.322322
H -5.890780 1.193279 1.042410
H -2.899731 0.829166 -1.368431
H -7.533956 2.151650 -0.642402
H -7.763702 0.529000 -1.326039
H -8.650971 -0.293007 0.917725
H -9.622406 1.073585 0.297410
H -8.427302 1.341406 1.599429
H -1.030580 0.028941 -0.507356
H -3.596677 -3.496820 -0.336133
H 0.742996 -3.927343 -0.326863
H -1.538510 -4.958632 -0.278321
H 2.054822 -2.021471 -0.365423
H -2.552717 2.923065 1.377562
H 5.997298 0.425351 -2.383723
H 5.252548 0.952880 3.058460
H 6.813671 1.122406 2.267187


