%chk=000222916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222916

0 1
S 0.246451 0.428626 -0.117985
O -2.216643 1.220107 -0.081449
N 4.269575 -0.119252 0.233810
C -2.301027 -0.172850 -0.408304
C -1.016916 -0.870551 0.052189
C 1.778920 -0.530221 0.109007
C -3.550717 -0.797772 0.203684
C 2.923421 0.488452 0.074466
H -2.367791 -0.134633 -1.523653
H -0.788281 -1.750872 -0.570062
H -1.071360 -1.220630 1.096457
H 1.881738 -1.280204 -0.693882
H 1.752998 -1.075890 1.067345
H -3.697827 -1.827944 -0.138256
H -3.519296 -0.814939 1.298313
H -4.444037 -0.224866 -0.081667
H 2.796788 1.249787 0.879847
H 2.917692 1.054673 -0.886845
H -2.211764 1.366958 0.886980
H 4.458895 -0.786872 -0.506830
H 4.343180 -0.618607 1.114237


%chk=000222916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222916

0 1
S 0.312903 0.740496 -0.142310
O -2.742707 1.319410 0.131957
N 4.339240 -0.418852 0.144635
C -2.403135 -0.043266 -0.323526
C -1.053847 -0.514591 0.246657
C 1.804641 -0.403528 0.156435
C -3.537987 -1.034100 0.005469
C 3.121803 0.383045 -0.060662
H -2.311878 0.077438 -1.417049
H -0.769189 -1.478367 -0.213436
H -1.113891 -0.649802 1.344114
H 1.739345 -1.253494 -0.548660
H 1.750961 -0.787369 1.192351
H -3.354678 -2.023559 -0.453119
H -3.640188 -1.176838 1.098838
H -4.492954 -0.641224 -0.383144
H 3.148920 1.249257 0.626285
H 3.138700 0.794009 -1.087264
H -2.743173 1.335651 1.123914
H 4.491405 -1.163317 -0.540820
H 4.499708 -0.728497 1.106737


