%chk=000299036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299036

0 1
S -2.434420 -0.817198 -1.751836
O -2.067446 0.376775 0.601080
O 4.045129 -0.982057 -0.057655
O 4.261531 1.266784 -0.033308
N -4.212360 -0.170657 0.161337
C -0.682661 0.284707 0.334780
C 2.059031 0.265042 0.119143
C -0.013502 1.513731 0.295470
C -0.035789 -0.952442 0.268498
C 1.376146 1.493218 0.187911
C 1.354790 -0.950696 0.152942
C -2.940458 -0.202019 -0.299858
C -4.582618 0.424004 1.464329
C -5.308750 -0.670395 -0.701370
C 3.533378 0.300197 0.003446
C 5.488145 -1.092260 -0.185035
H -0.570121 2.447689 0.340484
H -0.598967 -1.885442 0.286166
H 1.943783 2.428764 0.151355
H 1.903871 -1.895482 0.088305
H -5.181470 1.340402 1.321424
H -3.681663 0.696824 2.048943
H -5.166234 -0.295782 2.064040
H -5.137490 -1.732020 -0.971307
H -5.360631 -0.096618 -1.647954
H -6.279440 -0.591946 -0.189430
H 5.646295 -2.175231 -0.159645
H 5.973856 -0.584647 0.654542
H 5.803269 -0.652845 -1.136797


%chk=000299036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299036

0 1
S -2.649771 -0.904917 -1.914941
O -2.104382 0.433705 0.450844
O 4.123425 -1.029596 -0.050179
O 4.311159 1.290075 0.065195
N -4.286955 -0.160901 0.147672
C -0.700985 0.327754 0.259838
C 2.102107 0.248749 0.118328
C 0.024240 1.537231 0.286020
C -0.052884 -0.924016 0.168826
C 1.429366 1.494166 0.216373
C 1.352446 -0.957061 0.095494
C -3.034360 -0.216945 -0.402456
C -4.589754 0.453162 1.458271
C -5.422674 -0.707659 -0.621761
C 3.589144 0.261319 0.045151
C 5.600196 -1.098353 -0.131990
H -0.516630 2.485154 0.356477
H -0.638135 -1.846374 0.146886
H 2.023318 2.413380 0.232454
H 1.879602 -1.911631 0.021622
H -5.254026 1.327925 1.326033
H -3.659987 0.779546 1.939665
H -5.097126 -0.282979 2.108765
H -5.255611 -1.773724 -0.854572
H -5.538989 -0.172767 -1.581185
H -6.339469 -0.595942 -0.020639
H 5.828378 -2.171677 -0.193148
H 6.054907 -0.643970 0.764446
H 5.958654 -0.563252 -1.027489


