%chk=000290768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290768

0 1
S -0.464639 -2.504668 -0.262177
S -2.161804 -3.317383 -1.104906
O 0.204332 0.191081 -2.767167
O -4.274262 -2.116157 1.707163
O 0.203370 0.481245 -0.523137
O -2.028440 -2.132912 1.415049
O 4.323882 -0.976614 -1.709744
O -4.776150 1.379347 -0.388672
N 2.471491 -1.240180 -0.411143
N -2.823409 0.228135 -0.245546
C 1.568706 -1.312960 -1.570883
C -3.528566 -1.065913 -0.260711
C 0.763274 -2.609684 -1.597001
C -3.188068 -1.888327 -1.507822
C 0.593833 -0.125961 -1.494257
C -3.131923 -1.825821 1.016719
C 3.849618 -1.037230 -0.588871
C -3.558041 1.423156 -0.288555
C 4.634222 -0.940956 0.680127
C -2.782460 2.699237 -0.261764
C 4.265490 -0.047162 1.694320
C -1.490595 2.806883 0.269448
C 5.776548 -1.741541 0.819115
C -3.425060 3.838706 -0.777070
C 5.037377 0.034005 2.856525
C -0.839629 4.044383 0.268542
C 6.540735 -1.658467 1.986229
C -2.770013 5.071012 -0.777272
C 6.170889 -0.773022 3.004095
C -1.475793 5.174149 -0.254645
C -0.720340 1.301577 -2.933734
C -4.123745 -2.844672 2.958374
H 2.184731 -1.224645 -2.522237
H -4.649569 -0.867052 -0.234264
H 0.294354 -2.758983 -2.589028
H 1.419305 -3.488221 -1.432582
H -4.114319 -2.296267 -1.969681
H -2.717114 -1.259617 -2.290411
H 2.045614 -1.299030 0.513628
H -1.797539 0.206246 -0.155871
H 3.388789 0.590766 1.576916
H -0.976607 1.931785 0.681472
H 6.068058 -2.418048 0.013338
H -4.443664 3.748571 -1.166621
H 4.755848 0.728085 3.647409
H 0.165748 4.124787 0.680265
H 7.427500 -2.280975 2.099612
H -3.269143 5.952214 -1.177709
H 6.769066 -0.708891 3.912887
H -0.965241 6.137021 -0.252260
H -0.531787 1.622565 -3.964301
H -0.504905 2.100902 -2.214090
H -1.737549 0.920850 -2.804344
H -5.161700 -3.069051 3.226735
H -3.640945 -2.194027 3.693608
H -3.534859 -3.752868 2.792200


%chk=000290768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290768

0 1
S -0.086484 -1.689205 0.305596
S -1.977498 -2.950979 0.350128
O -0.216452 -0.907685 -3.412680
O -5.602772 -2.420189 0.773834
O 0.903526 0.903668 -2.471112
O -4.672690 -1.055575 2.417210
O 3.995700 -2.493023 -0.946914
O -2.605911 1.086357 -1.472699
N 2.550512 -0.685206 -1.047581
N -3.090436 0.216248 0.613931
C 1.618390 -1.394831 -1.930151
C -3.939808 -0.838823 0.064222
C 0.806573 -2.478848 -1.185437
C -3.164733 -1.933364 -0.715468
C 0.740239 -0.333464 -2.609198
C -4.754713 -1.423530 1.223114
C 3.710570 -1.299176 -0.601874
C -2.489032 1.152284 -0.202281
C 4.602311 -0.482526 0.293201
C -1.698668 2.231145 0.481921
C 4.146028 0.652829 1.014038
C -1.999053 2.673502 1.797490
C 5.951541 -0.897862 0.429140
C -0.633786 2.835424 -0.234310
C 5.035725 1.370761 1.842763
C -1.237273 3.703004 2.391439
C 6.839646 -0.176595 1.253092
C 0.129753 3.858874 0.365689
C 6.384975 0.962746 1.959239
C -0.168491 4.295259 1.678728
C -1.129422 0.039012 -4.125168
C -6.430181 -3.086472 1.814273
H 2.195125 -1.928236 -2.716152
H -4.643999 -0.387848 -0.666458
H 0.040920 -2.913252 -1.844872
H 1.489786 -3.254566 -0.809851
H -3.875001 -2.669822 -1.128707
H -2.592485 -1.465670 -1.530373
H 2.402529 0.325393 -0.961097
H -2.963944 0.220822 1.629684
H 3.094609 0.960925 0.969495
H -2.845852 2.249381 2.350770
H 6.274124 -1.791081 -0.115906
H -0.411306 2.485087 -1.246941
H 4.674589 2.239186 2.404432
H -1.481753 4.047941 3.401992
H 7.881695 -0.500751 1.348474
H 0.954321 4.317243 -0.191319
H 7.073310 1.521878 2.602881
H 0.421089 5.095511 2.140141
H -1.752709 -0.610081 -4.755711
H -0.532626 0.736111 -4.736223
H -1.727725 0.589759 -3.381249
H -6.998454 -3.852107 1.269300
H -7.101133 -2.351838 2.289182
H -5.778297 -3.538338 2.579634


