%chk=000257202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257202

0 1
S 1.732748 2.531159 -0.000369
S -4.435179 0.070924 0.001549
O 4.461589 -1.184102 0.004770
N -0.837385 1.628188 -0.000111
N 1.025931 0.009956 -0.000179
N -1.891599 -0.601130 0.000219
N -3.388594 -2.479388 0.000542
N 2.528585 -2.375196 -0.006742
C -1.989151 0.807984 0.000423
C 0.485212 1.213272 -0.000177
C 2.438670 0.082577 -0.000401
C -3.261144 1.341916 0.001109
C 2.989493 1.330654 -0.000538
C -3.116435 -1.144875 0.000765
C 3.239061 -1.187713 -0.000189
H -1.013748 2.637617 -0.000117
H -3.557969 2.371773 0.001365
H 4.040333 1.586097 -0.000496
H -4.331463 -2.823849 0.001613
H -2.634690 -3.150800 0.000743
H 1.517155 -2.400187 -0.008510
H 3.019382 -3.254276 -0.005070


%chk=000257202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257202

0 1
S 1.786253 2.616096 -0.000102
S -4.498688 0.021085 0.001620
O 4.479289 -1.266610 -0.002679
N -0.823103 1.611066 0.000545
N 1.036321 0.030696 -0.000108
N -1.878570 -0.596043 -0.000661
N -3.299677 -2.515889 -0.001496
N 2.388044 -2.328120 -0.000964
C -1.978483 0.799265 0.000686
C 0.507636 1.234802 0.000013
C 2.444356 0.069203 -0.001098
C -3.260236 1.337716 0.002071
C 3.029605 1.320379 -0.001876
C -3.076704 -1.160881 -0.000363
C 3.210955 -1.218744 -0.001617
H -1.006175 2.614662 0.001015
H -3.580522 2.376516 0.003351
H 4.091458 1.552513 -0.002825
H -4.236345 -2.907231 -0.001089
H -2.492621 -3.135458 -0.002700
H 1.374969 -2.186969 -0.000180
H 2.803038 -3.257452 -0.001343


