%chk=000240585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240585

0 1
S 3.726530 2.324464 0.649121
O -2.860014 -0.479994 0.861315
O -3.584950 -0.691393 -2.524901
O -4.462207 -2.955380 -1.341347
O -1.457337 -3.167527 1.384708
O -6.319804 2.536999 -1.265403
O 3.696365 3.261932 1.757380
O 4.514989 2.626947 -0.515192
N -5.337492 1.112930 0.208624
N -1.778646 0.806914 -0.859498
N 4.439668 0.941819 1.469621
N 4.040436 -0.533921 -0.340957
N 5.304561 -1.263391 1.635053
C -4.241777 0.797239 -0.725975
C -4.548802 -0.532605 -1.462643
C -4.347793 -1.773141 -0.562006
C -2.906425 0.720836 0.071902
C -2.972072 -1.733102 0.141516
C -2.829244 -2.802833 1.233622
C -0.474064 1.122195 -0.448419
C -6.341636 2.028912 -0.159730
C -0.197372 1.636399 0.842307
C 0.574955 0.972271 -1.389951
C -7.377541 2.286786 0.890629
C 1.101429 2.003880 1.165677
C 1.867509 1.341429 -1.038995
C 2.143661 1.861610 0.236406
C 4.606259 -0.314137 0.904554
C 4.208478 -1.775881 -0.881043
C 5.449331 -2.492715 1.068056
C 4.911831 -2.784651 -0.201059
C 3.612072 -2.015054 -2.226725
C 6.202410 -3.514567 1.849029
H -4.171426 1.623993 -1.496230
H -5.573163 -0.522852 -1.897217
H -5.183427 -1.864565 0.170493
H -2.840641 1.502698 0.875063
H -2.139544 -1.811214 -0.593033
H -5.326606 0.639674 1.107390
H -3.313166 -3.754433 0.926846
H -3.236518 -2.454450 2.200052
H -1.893281 0.299198 -1.748721
H -3.911490 -0.262113 -3.345955
H -3.848922 -2.912737 -2.119679
H -0.940765 -2.405003 1.730801
H -0.989781 1.739971 1.578811
H 0.375223 0.576282 -2.381432
H -6.950305 2.712060 1.809644
H -8.116759 3.017685 0.516686
H -7.937176 1.382701 1.166440
H 1.313732 2.416467 2.160551
H 2.684191 1.227186 -1.766057
H 4.872907 1.074439 2.401387
H 5.039954 -3.765418 -0.642172
H 2.953817 -2.895850 -2.222514
H 3.017243 -1.157792 -2.579894
H 4.398854 -2.191330 -2.976786
H 7.095146 -3.853591 1.302975
H 6.545775 -3.122970 2.822146
H 5.580821 -4.398303 2.054029


%chk=000240585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240585

0 1
S 3.714109 1.910547 1.023904
O -3.343974 -0.136610 1.098561
O -3.651795 -0.759509 -2.468935
O -4.760496 -2.868221 -1.102452
O -2.312601 -2.425370 2.490673
O -6.720387 2.181166 -1.796602
O 3.624527 2.764028 2.407622
O 4.558668 2.457571 -0.244308
N -5.529225 1.380112 0.018719
N -1.949176 0.707937 -0.759919
N 4.432189 0.328696 1.670378
N 4.452434 -0.789293 -0.410934
N 5.810086 -1.540329 1.485175
C -4.402067 0.959363 -0.825729
C -4.705418 -0.427282 -1.462591
C -4.690393 -1.574680 -0.424254
C -3.123248 0.913490 0.040691
C -3.453048 -1.502417 0.502578
C -3.540770 -2.454013 1.697210
C -0.643876 0.949957 -0.313586
C -6.644588 1.985997 -0.543361
C -0.367864 1.350256 1.027738
C 0.436515 0.807068 -1.235458
C -7.740752 2.402115 0.427231
C 0.952460 1.626319 1.427854
C 1.759215 1.065189 -0.840579
C 1.982390 1.475580 0.485298
C 4.920687 -0.698607 0.870362
C 4.934776 -1.830283 -1.157115
C 6.262255 -2.594523 0.739765
C 5.846369 -2.765493 -0.606199
C 4.442497 -1.919842 -2.581723
C 7.218827 -3.540990 1.423048
H -4.299900 1.700684 -1.639246
H -5.688888 -0.386261 -1.964361
H -5.609850 -1.512899 0.184710
H -3.037886 1.834452 0.644232
H -2.529216 -1.713897 -0.072598
H -5.485255 1.149600 1.014520
H -3.652320 -3.490014 1.341154
H -4.425832 -2.185287 2.314977
H -2.098124 0.239813 -1.661506
H -3.975202 -0.517041 -3.370324
H -4.104210 -2.827607 -1.849684
H -2.119113 -1.476071 2.704914
H -1.174856 1.422649 1.761297
H 0.229392 0.501929 -2.267618
H -7.867167 3.497621 0.377659
H -8.696959 1.951316 0.111524
H -7.535073 2.116176 1.472904
H 1.182173 1.957371 2.445681
H 2.601032 0.952393 -1.528373
H 4.854695 0.459297 2.598086
H 6.223928 -3.597074 -1.205765
H 4.853530 -2.800706 -3.101085
H 3.339056 -1.976094 -2.599997
H 4.731125 -1.010514 -3.139405
H 7.617019 -4.294799 0.724319
H 8.058832 -2.978179 1.866240
H 6.708743 -4.061788 2.253981


