%chk=000180859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180859

0 1
S 5.252913 -0.877218 -1.055457
F 5.079402 -0.252303 1.531032
F 7.025552 -0.510053 0.782293
F 4.789655 2.169930 0.230819
F 6.604749 2.182294 1.298369
F -5.419555 -1.681196 -1.770162
F -4.823799 1.007404 2.024191
O 5.652908 0.041163 -2.151028
O -1.146836 1.436395 -1.769109
O -2.954938 -1.445523 0.577356
N -0.676842 -0.459653 -0.475889
N -2.911959 0.419434 -0.761674
C 2.814434 -1.718215 -0.104805
C 1.411705 -1.614059 0.024877
C 3.509823 -0.748771 -0.841584
C 0.742087 -0.540706 -0.621161
C 2.837245 0.295532 -1.481922
C 1.456217 0.404766 -1.379447
C 3.526038 -2.857964 0.550049
C 0.669110 -2.628665 0.837035
C 5.842572 0.060512 0.470481
C 6.007427 1.575729 0.244167
C -1.491514 0.518096 -1.052319
C -5.039811 -0.349118 0.122810
C -3.565207 -0.546039 0.031204
C -5.927918 -0.962157 -0.775639
C -5.624972 0.404458 1.153138
C -7.315579 -0.840134 -0.675553
C -7.006310 0.555544 1.294147
C -7.845475 -0.077258 0.370773
H 3.397748 1.028550 -2.076964
H 0.935004 1.226828 -1.884467
H 3.012427 -3.815010 0.364384
H 3.556649 -2.721493 1.644161
H 4.561460 -3.008396 0.221136
H 1.053037 -2.669961 1.867742
H -0.413487 -2.434528 0.924682
H 0.765694 -3.634845 0.402336
H -1.119570 -1.201582 0.124983
H 6.557282 1.826101 -0.700362
H -3.468626 1.165856 -1.208813
H -7.974116 -1.331859 -1.393574
H -7.424099 1.149798 2.108679
H -8.929723 0.026215 0.467683


%chk=000180859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180859

0 1
S 5.346391 -1.107826 -1.044532
F 5.203757 -0.069539 1.641048
F 7.302853 -0.374528 0.802562
F 4.763702 2.106356 0.053843
F 6.910864 2.328329 0.850422
F -5.349507 0.158842 -2.253328
F -4.863137 -0.766283 2.492259
O 5.723378 -0.156415 -2.363319
O -1.178025 1.223493 -2.260575
O -2.854577 -1.291711 0.684370
N -0.684069 -0.411213 -0.607223
N -2.904872 0.337129 -0.987695
C 2.758494 -1.670298 0.113811
C 1.347459 -1.483350 0.176523
C 3.478606 -0.884262 -0.820010
C 0.724764 -0.545229 -0.712549
C 2.875485 0.026924 -1.699721
C 1.484538 0.202384 -1.650570
C 3.454732 -2.671153 1.024128
C 0.490249 -2.252468 1.169353
C 6.006723 0.098077 0.500465
C 6.072280 1.550252 0.000088
C -1.504003 0.420911 -1.344128
C -5.008189 -0.346322 0.101386
C -3.516208 -0.478988 -0.040388
C -5.896387 -0.078545 -0.971830
C -5.644255 -0.551924 1.356991
C -7.291705 -0.038693 -0.856353
C -7.037327 -0.517467 1.533375
C -7.861414 -0.265716 0.415789
H 3.501410 0.574498 -2.413649
H 0.981049 0.902970 -2.317984
H 2.991442 -3.671198 0.951058
H 3.404294 -2.352740 2.081260
H 4.522639 -2.792151 0.776684
H 1.093776 -2.896185 1.824104
H -0.081255 -1.570686 1.828631
H -0.248199 -2.902746 0.660599
H -1.190140 -0.990813 0.090440
H 6.442793 1.599770 -1.038923
H -3.485081 0.933890 -1.585387
H -7.902286 0.163235 -1.739702
H -7.452105 -0.680324 2.531233
H -8.948138 -0.240389 0.536042


