%chk=000211062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211062

0 1
S 2.714134 0.371142 0.006931
S -2.809399 0.183249 0.067400
S -0.758738 -1.998329 0.168325
O 2.615641 1.760937 0.393702
O 3.663073 -0.527532 0.627673
O -3.632231 -1.006236 0.135729
O -2.997858 1.285972 0.978219
N 3.102629 0.372041 -1.667805
N -3.018147 0.843208 -1.503718
C 1.149933 -0.337024 0.061177
C -1.182963 -0.342182 0.081320
C -0.052339 0.435808 0.035447
C 0.918927 -1.691976 0.138862
H -0.042476 1.526429 -0.003960
H 1.666740 -2.478242 0.189370
H 3.876207 -0.209446 -1.983021
H 3.139332 1.265206 -2.154528
H -3.276737 1.824621 -1.584816
H -3.532428 0.303154 -2.195604


%chk=000211062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211062

0 1
S 2.921469 0.173579 0.105319
S -2.828447 0.508816 0.016288
S -0.900434 -2.030846 -0.147771
O 2.991087 1.407521 1.158168
O 3.839211 -1.165720 0.231030
O -3.772839 -0.338737 1.026473
O -2.573500 2.107964 0.174573
N 3.159845 0.942711 -1.545444
N -3.453147 0.089689 -1.657052
C 1.154669 -0.413616 -0.011761
C -1.139253 -0.251274 -0.044868
C 0.030942 0.475883 0.025629
C 0.866491 -1.760705 -0.096056
H 0.077670 1.562837 0.116466
H 1.561172 -2.599273 -0.113030
H 3.680889 0.292266 -2.156422
H 3.638610 1.848057 -1.404327
H -3.251404 0.861689 -2.313640
H -4.459732 -0.130043 -1.572873


