%chk=000238382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238382

0 1
S -3.036282 0.534012 -0.000204
O 0.318885 -2.660970 0.000854
N -1.682885 1.653729 0.000578
N 0.716428 1.493636 0.000236
N -2.036207 -0.866977 -0.000619
N 1.674421 -0.803903 -0.000682
N 3.041319 1.097441 -0.000302
C -0.495628 0.953866 0.000220
C -0.790848 -0.529586 -0.000154
C 0.447147 -1.468478 0.000038
C 1.788921 0.541371 -0.000376
H -1.757049 2.664629 -0.000011
H 3.859359 0.503738 -0.000374
H 3.163419 2.097892 0.000295


%chk=000238382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238382

0 1
S -3.099899 0.568689 0.000616
O 0.310480 -2.704578 0.000390
N -1.661257 1.646381 -0.000066
N 0.734781 1.501418 -0.000285
N -2.021142 -0.901988 -0.000031
N 1.688016 -0.801631 -0.000233
N 3.026204 1.102181 0.000059
C -0.473727 0.949088 -0.000163
C -0.751682 -0.507225 -0.000027
C 0.451549 -1.452734 -0.000799
C 1.777930 0.543376 -0.000114
H -1.728572 2.664820 -0.000035
H 3.837340 0.487636 0.000102
H 3.120980 2.114966 0.000086


