%chk=000227705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227705

0 1
S 0.521643 -1.473993 0.680854
O -0.053433 -2.317094 -0.335520
O 0.615081 -1.956090 2.022908
O -0.014208 2.222506 -0.193795
O -1.887742 0.592118 2.254032
N -0.354926 0.053702 0.598445
N -2.749103 -0.042639 0.218149
C 2.001946 -0.746406 0.134255
C 1.817131 0.620927 -0.163812
C 0.410865 1.123714 0.061622
C -1.724895 0.245072 1.103516
C -2.557209 -0.390678 -1.215034
C -4.152577 0.110704 0.708211
C 3.238695 -1.339475 -0.017536
C 2.866640 1.402128 -0.616687
C 4.315427 -0.550935 -0.479547
C 4.131567 0.796693 -0.773772
C -2.448044 0.859675 -2.083056
C -4.727643 -1.232822 1.146283
H -1.653942 -1.038620 -1.330954
H -3.418209 -1.018510 -1.539713
H -4.161514 0.828891 1.565170
H -4.765857 0.562140 -0.101950
H 3.399338 -2.395160 0.212338
H 2.718246 2.460542 -0.843963
H 5.297978 -1.009375 -0.602552
H 4.970102 1.399559 -1.128974
H -3.386052 1.426002 -2.109347
H -1.677471 1.552545 -1.709943
H -2.186716 0.601003 -3.115019
H -4.720865 -1.972560 0.337613
H -4.151866 -1.662125 1.978801
H -5.762687 -1.122537 1.490079


%chk=000227705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227705

0 1
S 0.425508 -1.586823 0.343882
O -0.039760 -2.470505 -0.936734
O 0.302440 -2.243740 1.816785
O 0.221775 2.424181 -0.003935
O -1.832454 0.866002 2.028263
N -0.421391 0.175451 0.247816
N -2.795995 -0.019084 0.085443
C 2.078902 -0.738254 0.042203
C 1.908358 0.649727 -0.079693
C 0.518684 1.201023 0.065384
C -1.741289 0.382911 0.867581
C -2.687866 -0.417249 -1.343034
C -4.156173 0.089132 0.679027
C 3.306074 -1.399809 -0.058355
C 3.048621 1.445789 -0.319162
C 4.442491 -0.585113 -0.296479
C 4.311614 0.820182 -0.424936
C -2.828624 0.788580 -2.295282
C -4.530923 -1.171477 1.485747
H -1.729974 -0.934065 -1.510242
H -3.484990 -1.159528 -1.533273
H -4.176381 0.975848 1.335324
H -4.869205 0.253450 -0.148522
H 3.394072 -2.485296 0.042413
H 2.923901 2.529369 -0.411586
H 5.428986 -1.052087 -0.379876
H 5.202656 1.429248 -0.606948
H -3.793760 1.308302 -2.154432
H -2.018641 1.518071 -2.119383
H -2.772252 0.449540 -3.345698
H -4.499898 -2.077531 0.854294
H -3.832669 -1.308005 2.328631
H -5.552136 -1.069339 1.895879


