%chk=000287475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287475

0 1
S 4.003203 -0.908032 0.209392
C -0.810055 -2.810091 -0.558463
C -2.024092 -2.351802 0.260056
C 0.134103 -3.686980 0.274668
C -2.936502 -1.430850 -0.561329
C 1.406365 -4.073472 -0.492619
C -4.085263 -0.872761 0.288824
C 2.350102 -2.888475 -0.750509
C -4.966576 0.088847 -0.520873
C 3.030409 -2.411046 0.524546
C -6.105295 0.658019 0.322328
C 2.852457 0.414373 0.074522
C 0.669646 1.458768 0.189553
C 1.510876 0.307563 0.327609
C 1.241392 2.696787 -0.203763
C 3.441482 1.653699 -0.319872
C 2.651190 2.765918 -0.452946
C -0.737694 1.387926 0.437494
C 0.397087 3.842378 -0.343066
C -1.525416 2.502913 0.293470
C -0.951316 3.746204 -0.101122
H -0.260361 -1.927651 -0.944762
H -1.146351 -3.365434 -1.454940
H -2.597019 -3.231313 0.611938
H -1.685966 -1.830380 1.176380
H 0.405883 -3.164625 1.212713
H -0.395183 -4.607801 0.589404
H -2.346001 -0.596742 -0.990187
H -3.343777 -1.983385 -1.429895
H 1.942926 -4.866062 0.064467
H 1.129415 -4.530338 -1.463615
H -4.700858 -1.703401 0.684227
H -3.681421 -0.350806 1.177534
H 1.779034 -2.061166 -1.223704
H 3.112158 -3.182608 -1.501184
H -4.349635 0.915908 -0.924172
H -5.381533 -0.435083 -1.404245
H 2.300912 -2.241023 1.339496
H 3.754216 -3.161023 0.903420
H -6.728006 1.343042 -0.263936
H -5.729048 1.215153 1.187617
H -6.759901 -0.134144 0.703532
H 1.049474 -0.631109 0.634518
H 4.514155 1.705170 -0.512281
H 3.081204 3.721405 -0.751907
H -1.169020 0.433182 0.739708
H 0.844657 4.788296 -0.644157
H -2.598128 2.454837 0.477566
H -1.600930 4.613310 -0.205636


%chk=000287475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287475

0 1
S 4.213601 -0.943798 0.282105
C -0.853916 -2.788051 -0.583622
C -2.118584 -2.386654 0.209180
C 0.099544 -3.705595 0.217670
C -3.065598 -1.455968 -0.582165
C 1.402295 -4.079703 -0.536159
C -4.283160 -0.976021 0.239599
C 2.391126 -2.904753 -0.768927
C -5.200834 -0.005556 -0.538928
C 3.081901 -2.441030 0.527467
C -6.411642 0.476172 0.289202
C 3.036501 0.454392 0.119139
C 0.833733 1.546048 0.249165
C 1.666473 0.385926 0.385769
C 1.422722 2.801750 -0.168227
C 3.622713 1.699822 -0.295195
C 2.833485 2.839540 -0.430528
C -0.575619 1.499706 0.515870
C 0.585554 3.956207 -0.305639
C -1.368528 2.641532 0.373494
C -0.785196 3.881177 -0.041415
H -0.323852 -1.866051 -0.897402
H -1.153689 -3.304404 -1.519395
H -2.668222 -3.300482 0.517505
H -1.812719 -1.881712 1.151194
H 0.344986 -3.222140 1.186622
H -0.441700 -4.638337 0.477115
H -2.495697 -0.571773 -0.936935
H -3.419844 -1.980956 -1.493669
H 1.927439 -4.886654 0.015933
H 1.129611 -4.507256 -1.522461
H -4.875428 -1.854090 0.572675
H -3.926733 -0.475131 1.165062
H 1.865184 -2.053608 -1.239231
H 3.172712 -3.218945 -1.486313
H -4.604029 0.869522 -0.869863
H -5.557335 -0.503543 -1.463616
H 2.368498 -2.198773 1.333124
H 3.767275 -3.216867 0.912487
H -7.047281 1.173127 -0.287556
H -6.081337 0.999826 1.206527
H -7.042977 -0.377229 0.601518
H 1.195344 -0.548204 0.709719
H 4.697126 1.743229 -0.506044
H 3.291705 3.784190 -0.746885
H -1.024494 0.552086 0.837803
H 1.037598 4.904111 -0.622122
H -2.443564 2.592297 0.581342
H -1.418149 4.768724 -0.149191


