%chk=000239517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239517

0 1
S -1.493598 -2.790105 -1.823742
S 3.111496 0.112909 -1.846445
S -1.705724 2.687439 -1.809299
O -1.588644 -3.652690 -0.351571
O 3.949620 0.454602 -0.396798
O -2.379240 3.204339 -0.326415
O 1.839767 -1.951146 1.492186
O -2.581871 -0.606932 1.529388
O 0.793155 2.550716 1.509130
O -0.160123 -2.210771 -1.786770
O -1.809027 -3.745216 -2.843823
O 1.930349 0.956533 -1.755089
O 4.056025 0.350973 -2.896994
O -1.872980 1.243457 -1.768435
O -2.389807 3.439091 -2.818949
N -0.388498 -1.334878 1.606399
N 1.374772 0.311553 1.598226
N -0.932691 1.015316 1.615890
C 1.009483 -1.067489 1.545688
C -1.401071 -0.329142 1.565703
C 0.443977 1.389449 1.554588
C -0.822795 -2.764113 1.744969
C 2.831377 0.648023 1.722831
C -1.951297 2.106403 1.766620
C -0.471273 -3.638257 0.533377
C 3.398747 1.403409 0.513135
C -2.906632 2.231350 0.571877
C -2.729731 -1.635437 -1.600581
C 2.767712 -1.545058 -1.635584
C -0.083014 3.177930 -1.613344
H -1.933016 -2.783876 1.900881
H -0.343993 -3.177552 2.663094
H 3.404892 -0.305365 1.861424
H 2.961123 1.258989 2.646453
H -1.411153 3.078948 1.906639
H -2.531383 1.903721 2.696970
H 0.462108 -3.318023 0.024773
H -0.364612 -4.699170 0.845549
H 2.651085 2.064474 0.026804
H 4.273683 2.015207 0.820693
H -3.102475 1.260413 0.070255
H -3.874234 2.667683 0.899970
H -2.430976 -0.589271 -1.886828
H -3.646790 -1.822887 -2.180915
H -3.065414 -1.515634 -0.550980
H 2.848696 -1.903639 -0.589843
H 1.715154 -1.827402 -1.914882
H 3.398359 -2.225883 -2.228401
H 0.202913 3.419117 -0.569908
H 0.666128 2.388815 -1.899162
H 0.208044 4.058075 -2.207555


%chk=000239517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239517

0 1
S -1.386137 -3.080000 -1.855938
S 3.133718 0.231702 -2.302034
S -1.374431 2.182978 -1.474626
O -1.761851 -2.824690 -0.037138
O 2.893108 -0.089778 -0.476706
O -2.255922 3.148551 -0.120443
O 1.742430 -1.882143 2.125826
O -2.712115 -0.476248 2.360505
O 0.689209 2.657827 1.678053
O 0.196655 -2.784717 -2.086876
O -1.992601 -4.486369 -2.366102
O 1.946585 1.203785 -2.834978
O 4.663643 0.694616 -2.555537
O -0.941274 0.743042 -0.842104
O -2.278115 2.157799 -2.812586
N -0.494691 -1.216874 2.139168
N 1.244387 0.403038 1.915401
N -1.021228 1.111074 2.109092
C 0.890806 -0.960537 2.058568
C -1.491685 -0.218968 2.201082
C 0.321399 1.465117 1.873142
C -0.911538 -2.638972 2.208250
C 2.683797 0.733240 1.776719
C -2.046471 2.183968 2.177339
C -0.743247 -3.383023 0.873874
C 3.095725 1.117434 0.348878
C -2.910592 2.316667 0.910450
C -2.432274 -1.613913 -2.422537
C 2.846967 -1.563522 -2.809289
C 0.099006 3.357860 -1.624764
H -1.967044 -2.648862 2.521124
H -0.290244 -3.148737 2.965151
H 3.244312 -0.155947 2.104454
H 2.910040 1.587317 2.438433
H -1.514804 3.130031 2.365214
H -2.709241 1.950953 3.028943
H 0.272461 -3.236058 0.461831
H -0.928955 -4.461482 1.037484
H 2.479887 1.955709 -0.022186
H 4.163854 1.408429 0.349990
H -3.192219 1.322077 0.519255
H -3.836663 2.869827 1.150838
H -1.987448 -0.739209 -1.922761
H -2.343600 -1.582196 -3.517318
H -3.454582 -1.831665 -2.085830
H 1.836785 -1.843617 -2.468090
H 2.947707 -1.576642 -3.903536
H 3.637694 -2.132731 -2.303027
H 0.437091 3.513540 -0.590026
H 0.831855 2.818668 -2.249539
H -0.303549 4.270648 -2.083894


