%chk=000265815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265815

0 1
S 4.468843 -1.723465 0.537249
S -4.789287 -1.930561 -0.079204
F 0.040723 3.551276 -0.120855
O 3.185637 -2.001846 -0.544444
O -3.233301 -2.159261 0.564721
O 3.865047 -1.811682 1.846581
O 5.513493 -2.639486 0.161929
O -4.645158 -2.161242 -1.497212
O -5.668927 -2.756479 0.704450
N -0.145765 -1.969504 -0.535637
C 1.003746 -2.716477 -1.099832
C -0.950607 -2.748430 0.447568
C -0.037611 -0.562072 -0.350761
C 2.180088 -2.948165 -0.135910
C -2.341671 -3.046993 -0.139134
C -1.091654 0.143093 0.280744
C 1.049435 0.166466 -0.888429
C 4.859917 -0.117251 0.107024
C -5.000610 -0.273612 0.288297
C -1.069277 1.532385 0.361954
C 1.076753 1.557701 -0.820508
C 0.015801 2.215143 -0.194378
C 4.097634 0.948936 0.601693
C -4.422566 0.706311 -0.530718
C 5.944397 0.137233 -0.744886
C -5.743599 0.107839 1.412945
C 5.498516 2.518833 -0.606934
C -5.324602 2.443021 0.905013
C 4.413159 2.260429 0.247553
C -4.581204 2.056475 -0.225508
C 6.264223 1.444933 -1.100376
C -5.907183 1.457420 1.721473
C 5.849084 3.916419 -0.988653
C -5.494674 3.889687 1.221771
H 1.382851 -2.170117 -2.001477
H 0.622503 -3.691837 -1.478585
H -1.079332 -2.198494 1.412873
H -0.443435 -3.701009 0.710930
H 2.609157 -3.961035 -0.250398
H 1.910992 -2.769850 0.924456
H -2.663205 -4.081926 0.075686
H -2.397032 -2.847107 -1.229712
H -1.943391 -0.401034 0.702181
H 1.886525 -0.358801 -1.357896
H -1.884653 2.067324 0.847965
H 1.912440 2.111752 -1.246654
H 3.248915 0.757771 1.270026
H -3.844062 0.414322 -1.415628
H 6.545768 -0.696058 -1.129253
H -6.201981 -0.657104 2.052170
H 3.814923 3.083548 0.637513
H -4.128759 2.813532 -0.865214
H 7.108282 1.637868 -1.760604
H -6.487330 1.746248 2.596358
H 6.806266 4.221513 -0.536696
H 5.961281 4.026687 -2.077846
H 5.097342 4.651921 -0.669494
H -6.166593 4.375281 0.496073
H -5.920738 4.065701 2.219004
H -4.538436 4.433330 1.182035


%chk=000265815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265815

0 1
S 3.931862 -2.221804 -0.662533
S -3.918204 -2.213307 0.597894
F 0.020280 4.208057 0.009565
O 2.426178 -1.936714 -1.795702
O -2.406188 -1.945373 1.725447
O 3.332841 -2.880038 0.703021
O 5.108463 -2.981189 -1.472955
O -3.325019 -2.831190 -0.788680
O -5.083186 -3.004139 1.395140
N 0.011406 -1.451963 -0.031618
C 0.028993 -2.210245 -1.290285
C -0.011248 -2.227611 1.216220
C 0.012568 -0.039282 -0.021782
C 1.358605 -2.932671 -1.599203
C -1.345216 -2.945969 1.515946
C -0.485020 0.691149 1.103635
C 0.512089 0.705856 -1.136668
C 4.415123 -0.433738 -0.401695
C -4.415585 -0.421739 0.391997
C -0.471327 2.100870 1.120660
C 0.503528 2.115629 -1.132916
C 0.017501 2.790361 -0.001019
C 3.682964 0.336799 0.516199
C -3.691177 0.382488 -0.502920
C 5.506171 0.054188 -1.136597
C -5.508962 0.034475 1.143556
C 5.174646 2.228605 -0.017094
C -5.196850 2.245022 0.091427
C 4.077736 1.677281 0.700509
C -4.097097 1.724858 -0.644955
C 5.878830 1.401466 -0.930771
C -5.892921 1.384410 0.980030
C 5.585990 3.671536 0.205504
C -5.617972 3.691717 -0.083667
H -0.228078 -1.536010 -2.122914
H -0.771629 -2.979683 -1.270747
H 0.250112 -1.566812 2.058349
H 0.784185 -3.002075 1.185613
H 1.268183 -3.530727 -2.526016
H 1.626134 -3.609723 -0.762187
H -1.258052 -3.556603 2.434816
H -1.616458 -3.610491 0.670241
H -0.945432 0.159047 1.939853
H 0.969775 0.184534 -1.981160
H -0.865026 2.654454 1.978635
H 0.898741 2.680424 -1.982844
H 2.837623 -0.086552 1.065537
H -2.843262 -0.016850 -1.066197
H 6.045218 -0.596086 -1.832617
H -6.041214 -0.641270 1.820289
H 3.517684 2.305156 1.402464
H -3.543802 2.378394 -1.328624
H 6.726200 1.812402 -1.490523
H -6.742748 1.770938 1.553244
H 6.046844 3.800729 1.203327
H 6.318745 4.008154 -0.546864
H 4.713435 4.347959 0.161851
H -6.046593 3.859543 -1.089884
H -6.378307 3.988417 0.657938
H -4.754985 4.374440 0.018127


