%chk=000219236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219236

0 1
S -0.015442 -0.259190 -0.163298
O 0.739592 -0.780666 -1.281602
O -0.773926 -1.162877 0.673754
N 0.984604 0.601311 0.925397
N -1.010494 0.954988 -0.842690
C 2.086066 1.423382 0.364738
C -2.108785 1.507518 -0.010907
C 3.255529 0.598724 -0.167505
C -3.282446 0.547817 0.169362
H 1.255607 0.108113 1.785607
H -1.282897 0.826661 -1.825541
H 1.672090 2.073178 -0.441868
H 2.434580 2.112081 1.169630
H -1.692601 1.800528 0.981648
H -2.453486 2.451827 -0.493706
H 3.720388 -0.017462 0.608667
H 2.934244 -0.084273 -0.974315
H 4.036485 1.241587 -0.588074
H -3.749683 0.275008 -0.782199
H -2.964946 -0.392008 0.655780
H -4.060681 0.986152 0.803621


%chk=000219236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219236

0 1
S -0.015846 -0.394096 -0.200105
O 0.756866 -0.955331 -1.518778
O -0.785174 -1.422852 0.800046
N 0.992261 0.627955 0.939545
N -1.026136 0.986848 -0.857442
C 2.059228 1.447068 0.297109
C -2.082150 1.505662 0.057760
C 3.331698 0.675155 -0.108761
C -3.354917 0.639702 0.159100
H 1.329079 -0.028892 1.667426
H -1.373777 0.656519 -1.776518
H 1.598327 1.942936 -0.575751
H 2.293544 2.242764 1.031026
H -1.609098 1.636817 1.047246
H -2.319630 2.518987 -0.321082
H 3.799830 0.185592 0.766102
H 3.091444 -0.095983 -0.860501
H 4.074938 1.367285 -0.545270
H -3.832739 0.512088 -0.830648
H -3.112959 -0.356606 0.566997
H -4.090989 1.120783 0.828998


