%chk=000292179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292179

0 1
S -5.143871 1.041661 1.572895
O 2.811945 1.537733 0.685059
O 1.710968 -1.638072 1.259155
O -0.370965 -0.737036 -2.130765
O 3.246992 1.623142 -1.543799
O 3.616506 -1.790579 0.038513
N -3.021099 -0.228430 -1.321569
N 0.517759 0.135078 -0.214684
C -1.904609 0.043342 -0.499145
C -4.152521 0.113472 -0.615630
C 1.882585 -0.200308 -0.628763
C -3.743975 0.605734 0.666136
C -2.344460 0.561372 0.735999
C -0.562488 -0.241893 -1.027473
C -5.579383 0.103196 -0.826717
C 2.731002 1.083208 -0.602949
C 2.536919 -1.290230 0.227987
C -6.234776 0.574052 0.263804
C 3.553577 2.781099 0.932092
C 2.150111 -2.718838 2.153183
C 2.733224 3.969270 0.482645
C 1.952356 -4.055171 1.474084
H 1.870843 -0.581264 -1.708201
H -2.955024 -0.604902 -2.254003
H -1.729113 0.860728 1.562207
H 0.403176 0.391707 0.765758
H -6.034300 -0.240281 -1.744512
H -7.298221 0.684833 0.401526
H 4.527347 2.710483 0.415315
H 3.681939 2.722066 2.028677
H 1.471261 -2.554681 3.010261
H 3.200935 -2.530647 2.436249
H 1.718659 3.946454 0.900830
H 2.630137 3.993159 -0.613803
H 3.197860 4.915496 0.786335
H 2.655325 -4.188428 0.637053
H 0.939069 -4.155747 1.062262
H 2.112611 -4.887479 2.170388


%chk=000292179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292179

0 1
S -5.278529 1.310373 1.498723
O 2.760966 1.617696 0.703078
O 1.637403 -1.819516 1.243912
O -0.442065 -0.844854 -2.071525
O 3.366590 1.510557 -1.554912
O 3.726209 -1.616246 0.218242
N -3.017092 -0.277052 -1.236924
N 0.499884 0.142475 -0.173414
C -1.923590 0.101388 -0.445368
C -4.188280 0.115903 -0.612133
C 1.859887 -0.204434 -0.556525
C -3.819385 0.757040 0.604282
C -2.402716 0.753351 0.718460
C -0.583955 -0.237610 -0.954707
C -5.601226 0.048424 -0.859713
C 2.756405 1.051336 -0.572675
C 2.526356 -1.282335 0.327979
C -6.319763 0.638960 0.168185
C 3.559291 2.875084 0.877079
C 2.167006 -2.919924 2.117926
C 2.728141 4.101358 0.493137
C 2.052164 -4.270007 1.407475
H 1.818989 -0.599565 -1.588492
H -2.884683 -0.761084 -2.126690
H -1.800105 1.164443 1.526521
H 0.356599 0.539555 0.755551
H -6.071902 -0.402852 -1.735186
H -7.399525 0.742048 0.263354
H 4.469757 2.792192 0.258466
H 3.823252 2.864869 1.946300
H 1.527053 -2.862692 3.012479
H 3.214120 -2.683834 2.376921
H 1.794968 4.149753 1.080539
H 2.476192 4.085094 -0.580296
H 3.309786 5.019727 0.695433
H 2.708963 -4.307035 0.522504
H 1.012719 -4.461386 1.090780
H 2.358414 -5.077901 2.097633


