%chk=000195007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195007

0 1
S 2.803456 -0.155987 -0.094256
O -3.765622 -0.738969 0.993192
O 3.189742 -1.523679 -0.373614
O 3.336244 0.946465 -0.869001
N 3.289638 0.141193 1.530302
C -1.703839 0.152553 0.060023
C -3.218963 0.260250 0.107301
C 1.082325 -0.040046 -0.037637
C -0.933755 1.289101 -0.225301
C -1.078317 -1.080751 0.286172
C 0.458726 1.189067 -0.275319
C 0.313902 -1.176224 0.236353
C -3.843946 -0.052333 -1.245866
H -3.538824 1.258619 0.487725
H -1.414194 2.247880 -0.414102
H -1.690758 -1.962304 0.491891
H 1.059877 2.074725 -0.511152
H 0.799804 -2.144850 0.399756
H -3.586214 -1.069344 -1.575048
H -3.515107 0.648912 -2.019699
H -4.940374 -0.015266 -1.183055
H -3.441654 -0.603844 1.905490
H 3.706971 -0.625883 2.052833
H 3.807281 0.995116 1.726213


%chk=000195007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195007

0 1
S 2.897102 -0.133713 -0.074445
O -3.877185 -0.643514 1.070515
O 3.279209 -1.673334 -0.450828
O 3.448584 1.162282 -0.896657
N 3.409275 0.111857 1.674257
C -1.758155 0.172838 0.062186
C -3.284081 0.263013 0.066732
C 1.021758 -0.009593 -0.005597
C -0.971493 1.330474 -0.159706
C -1.120774 -1.081968 0.245725
C 0.438081 1.251254 -0.199193
C 0.285873 -1.185599 0.212686
C -3.898685 -0.161404 -1.276923
H -3.578499 1.313281 0.284440
H -1.459370 2.301951 -0.303952
H -1.736384 -1.971046 0.417096
H 1.063351 2.128807 -0.391413
H 0.797744 -2.146397 0.327633
H -3.638396 -1.210945 -1.498421
H -3.523860 0.473830 -2.098303
H -4.997453 -0.075815 -1.228088
H -3.518370 -0.414811 1.966233
H 3.895255 -0.744480 1.990255
H 4.002871 0.957433 1.718968


