%chk=000250587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250587

0 1
S 0.952591 0.277721 1.385096
O 1.607768 1.495272 1.777049
O 0.675522 -0.741746 2.377828
O 1.769970 1.077870 -1.264393
O -3.631569 -1.973012 0.629589
O -4.950199 -0.667550 -0.471295
N 1.993721 -0.558838 0.248401
N -3.869538 -0.936328 0.028561
C 2.531843 -1.890873 0.655831
C 3.893847 -2.174705 0.014619
C 3.810933 -1.992051 -1.502817
C 3.424369 -0.553833 -1.847567
C 2.354129 0.041604 -0.968360
C -0.496575 0.614107 0.518396
C -1.579834 -0.251699 0.604258
C -0.591823 1.781295 -0.262477
C -2.770613 0.032854 -0.094105
C -2.880064 1.209192 -0.880522
C -1.769455 2.069734 -0.945414
C -4.116965 1.546569 -1.623693
H 1.792595 -2.671997 0.360917
H 2.610115 -1.931692 1.769854
H 4.215410 -3.203916 0.266662
H 4.667384 -1.504153 0.440386
H 3.071564 -2.698252 -1.931309
H 4.779873 -2.244379 -1.976225
H 3.096211 -0.478390 -2.907339
H 4.314434 0.113827 -1.776623
H -1.526456 -1.167105 1.222038
H 0.271959 2.462743 -0.337763
H -1.829160 2.977884 -1.548516
H -4.044547 2.473194 -2.207475
H -4.414011 0.738140 -2.318382
H -4.984229 1.648812 -0.942111


%chk=000250587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250587

0 1
S 1.001652 0.357211 1.396787
O 1.666201 1.757730 1.851999
O 0.657528 -0.786179 2.502526
O 2.007096 1.186575 -1.270560
O -3.555309 -2.134893 0.523763
O -5.100708 -0.694794 -0.321310
N 2.173605 -0.597225 0.205080
N -3.894975 -0.989274 0.034008
C 2.602856 -1.939054 0.657354
C 3.959302 -2.292780 0.011419
C 3.881016 -2.079838 -1.514119
C 3.594676 -0.597343 -1.833765
C 2.519494 0.067782 -0.959812
C -0.587078 0.692656 0.428363
C -1.614640 -0.241122 0.548860
C -0.698046 1.883903 -0.306281
C -2.830594 0.040995 -0.118439
C -3.026944 1.230134 -0.884450
C -1.925960 2.129809 -0.951157
C -4.296960 1.590242 -1.626123
H 1.837568 -2.688455 0.375029
H 2.666002 -1.934834 1.759522
H 4.192757 -3.345403 0.255149
H 4.757681 -1.661496 0.445668
H 3.079661 -2.720342 -1.932135
H 4.824020 -2.387284 -2.001589
H 3.286206 -0.448871 -2.883341
H 4.508392 0.012200 -1.685921
H -1.507859 -1.150759 1.147227
H 0.146341 2.573502 -0.378203
H -2.040777 3.046905 -1.537398
H -4.138051 2.501887 -2.225552
H -4.631437 0.776634 -2.292434
H -5.133516 1.762081 -0.927065


