%chk=000231837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231837

0 1
S -2.126944 -1.345540 0.030480
O -3.132275 -2.003275 -0.769259
O -1.656026 -1.901013 1.272247
O 4.958338 0.094514 1.216423
O 5.376712 0.138828 -0.904279
N -0.777245 -1.281382 -1.080695
N 4.625118 -0.025125 0.046195
C -2.525960 0.313283 0.241137
C 0.564888 -1.021965 -0.771644
C -3.483829 0.906240 -0.591030
C -1.910346 1.066112 1.247884
C 1.015377 -0.924488 0.567169
C 1.482247 -0.829351 -1.840631
C 3.234267 -0.381587 -0.235856
C 2.338788 -0.605462 0.828266
C 2.802565 -0.510104 -1.571184
C -3.815664 2.252961 -0.425385
C -2.241012 2.413692 1.413763
C -3.191862 3.006760 0.575721
H -0.968024 -1.520282 -2.067095
H -3.982783 0.313818 -1.366974
H -1.174488 0.603010 1.914571
H 0.347379 -1.157695 1.404393
H 1.150691 -0.928775 -2.872217
H 2.702942 -0.529326 1.860445
H 3.521032 -0.351657 -2.384674
H -4.561272 2.714660 -1.072580
H -1.759946 3.000482 2.196582
H -3.449967 4.059767 0.704828


%chk=000231837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231837

0 1
S -1.998206 -1.204435 -0.284605
O -3.065694 -1.907613 -1.290443
O -1.391801 -1.955862 1.023228
O 5.178560 0.270276 1.086865
O 5.745300 -1.134458 -0.622388
N -0.582274 -0.716881 -1.529358
N 4.877358 -0.469001 0.068703
C -2.662599 0.467696 0.274280
C 0.757232 -0.711570 -1.092810
C -3.461395 1.195036 -0.622013
C -2.360968 0.878072 1.582656
C 1.146521 0.101653 0.012814
C 1.749909 -1.458855 -1.795687
C 3.459257 -0.556849 -0.329136
C 2.491100 0.173269 0.400650
C 3.101716 -1.367907 -1.430238
C -3.976383 2.432619 -0.172094
C -2.889016 2.118339 2.011018
C -3.687187 2.891465 1.135429
H -0.781991 -1.335901 -2.336027
H -3.684818 0.807986 -1.620809
H -1.762284 0.241077 2.242358
H 0.392425 0.689220 0.544172
H 1.453286 -2.102504 -2.631853
H 2.812260 0.790673 1.243430
H 3.878760 -1.922737 -1.962163
H -4.603123 3.031625 -0.840353
H -2.681030 2.472190 3.025764
H -4.092212 3.850476 1.475211


