%chk=000285995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285995

0 1
S 0.611036 -2.023105 1.612255
O 5.370889 2.926519 1.955322
O 4.811367 2.885130 -0.217050
O 3.112855 -0.734343 2.467975
O 7.684940 -0.364958 -2.875261
O 8.765691 0.049020 -0.958647
O -7.251077 -2.162616 1.609500
N 3.704996 0.263837 0.504466
N -1.664076 -2.895855 0.356250
N -4.773210 -1.933478 0.160754
N -0.244130 -1.265841 -0.749662
N -6.232789 1.453998 -0.052674
N -4.190614 0.617476 -0.940546
N -7.735531 0.038728 1.219945
N -8.365196 2.261076 0.694199
C 4.970645 0.766176 1.063472
C 6.211970 0.098386 0.447140
C 6.314338 0.254566 -1.070793
C 5.018988 2.277107 0.806657
C 2.823909 -0.484167 1.308334
C 1.588988 -0.927238 0.677972
C -2.692425 -2.866064 -0.713320
C 7.711511 -0.012088 -1.543607
C -3.643060 -1.704903 -0.538727
C -0.585300 -2.056591 0.296833
C -5.636728 -0.903268 0.327039
C -5.346484 0.379117 -0.227312
C 0.980417 -0.647550 -0.524293
C -3.346513 -0.418444 -1.088322
C -6.916094 -1.127646 1.103987
C -7.445623 1.198799 0.666145
H 4.975418 0.578508 2.186227
H 6.203337 -0.981177 0.715320
H 7.126819 0.509383 0.935466
H 5.600748 -0.419832 -1.594088
H 6.021879 1.285582 -1.395825
H 3.528539 0.449945 -0.477124
H -3.248407 -3.837837 -0.676017
H -2.193870 -2.813944 -1.713642
H -1.989139 -3.221061 1.269669
H 1.356581 0.014790 -1.303371
H -2.409048 -0.234350 -1.643739
H -6.038935 2.339328 -0.526296
H 5.428737 3.916635 1.845720
H 8.592032 -0.532655 -3.247954
H -9.200085 2.091552 1.258644
H -8.008897 3.203253 0.783879


%chk=000285995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285995

0 1
S 0.763315 -2.152176 1.386310
O 6.139270 3.229145 1.091909
O 4.303659 3.152692 -0.328112
O 3.466885 -0.972832 2.154340
O 7.711555 -0.880454 -2.498175
O 8.219417 -1.410209 -0.294863
O -7.004105 -2.464674 1.669491
N 3.616774 0.653845 0.498229
N -1.596426 -2.787105 0.012058
N -4.692453 -1.931778 0.025178
N -0.196103 -1.074641 -0.895201
N -6.401374 1.320507 0.155081
N -4.389142 0.742359 -0.925767
N -7.715729 -0.245860 1.439020
N -8.413587 1.967892 1.215311
C 4.873504 1.176626 1.045508
C 6.112234 0.289402 0.712071
C 6.351602 0.142371 -0.800009
C 5.040023 2.598442 0.521862
C 2.971231 -0.407244 1.122263
C 1.695699 -0.842194 0.527595
C -2.606339 -2.647160 -1.058241
C 7.507834 -0.787073 -1.111126
C -3.629404 -1.565268 -0.748837
C -0.482631 -1.991794 0.043541
C -5.614950 -0.978624 0.335834
C -5.446622 0.353636 -0.157015
C 1.015922 -0.450646 -0.620374
C -3.479478 -0.227531 -1.215009
C -6.814696 -1.314446 1.196465
C -7.504955 0.969496 0.946386
H 4.800271 1.212145 2.150745
H 5.936048 -0.698362 1.169886
H 6.998769 0.725421 1.204044
H 5.449674 -0.255327 -1.303911
H 6.566055 1.114727 -1.285607
H 3.165327 1.214312 -0.230686
H -3.131966 -3.611513 -1.154435
H -2.073319 -2.422118 -1.995911
H -1.828838 -3.368327 0.817441
H 1.366161 0.308903 -1.323526
H -2.607568 0.060969 -1.808495
H -6.245078 2.262960 -0.214008
H 6.225465 4.152517 0.730014
H 8.471348 -1.499429 -2.675109
H -9.210274 1.706214 1.792387
H -8.323604 2.922105 0.876347


