%chk=000298840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298840

0 1
S -0.963991 -0.877984 0.895842
S 0.527247 0.031978 -2.144422
P 0.545580 -0.015892 -0.216912
O 0.563118 1.447162 0.537134
O 1.857751 -0.760109 0.448780
C -2.631746 -0.370671 0.130597
C -2.817015 -1.172517 -1.138968
C -3.574783 -0.807516 1.242210
C -2.652968 1.126508 -0.092371
C 1.566895 2.415488 0.089974
C 2.627622 -1.668547 -0.405057
C 1.294889 3.615585 0.978342
C 3.616639 -2.273375 0.574292
H -2.639279 -2.246492 -0.993993
H -3.839530 -1.066052 -1.526520
H -2.147296 -0.852800 -1.954291
H -3.397518 -0.265763 2.182369
H -3.502266 -1.881018 1.465995
H -4.620275 -0.618111 0.961391
H -2.122535 1.435776 -1.005355
H -3.682983 1.492577 -0.207077
H -2.211806 1.691523 0.742953
H 2.575913 1.995164 0.258985
H 1.410002 2.645957 -0.981596
H 1.961809 -2.432223 -0.848173
H 3.127833 -1.081058 -1.198601
H 2.022300 4.416019 0.806131
H 0.289109 4.020099 0.803716
H 1.337888 3.333756 2.040572
H 4.293363 -2.976716 0.077211
H 4.222388 -1.494875 1.058369
H 3.096744 -2.807272 1.382574


%chk=000298840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298840

0 1
S -1.033821 -0.910992 1.011894
S 0.493751 0.277799 -2.261997
P 0.573494 0.133214 -0.187513
O 0.693486 1.622859 0.689410
O 1.997951 -0.658310 0.439653
C -2.719368 -0.460494 0.106293
C -2.825999 -1.272693 -1.197617
C -3.764886 -0.916431 1.149947
C -2.793398 1.058568 -0.134868
C 1.688605 2.633516 0.207191
C 2.448772 -1.918807 -0.217213
C 1.520602 3.846739 1.116293
C 3.796439 -2.263547 0.410544
H -2.771285 -2.356748 -0.996407
H -3.799563 -1.057054 -1.681302
H -2.024029 -1.004106 -1.906686
H -3.679668 -0.339685 2.087290
H -3.666233 -1.991384 1.385152
H -4.776270 -0.752256 0.730597
H -2.054950 1.387290 -0.887043
H -3.801234 1.310440 -0.519721
H -2.621356 1.621530 0.797989
H 2.701071 2.195269 0.283812
H 1.472221 2.871377 -0.851917
H 1.694369 -2.706634 -0.026848
H 2.528453 -1.750679 -1.308567
H 2.234953 4.637269 0.819987
H 0.497355 4.252212 1.040976
H 1.713583 3.575359 2.167760
H 4.180876 -3.205168 -0.023702
H 4.532028 -1.463849 0.219616
H 3.697154 -2.396003 1.501099


