%chk=000232056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232056

0 1
S 2.987467 0.233058 -0.078492
O 3.914991 -0.872221 -0.219067
O 3.112431 1.396657 -0.937590
O -3.865414 -0.869987 0.113855
N -2.192762 0.715794 0.000564
N 3.202173 0.840513 1.520842
C 0.255345 0.458667 -0.040254
C 1.372460 -0.381761 -0.087007
C -1.042397 -0.137094 -0.048758
C 1.228745 -1.776254 -0.146943
C -1.175580 -1.532552 -0.107853
C 0.428797 1.939296 0.027673
C -0.040085 -2.346507 -0.157570
C -3.539590 0.299612 0.079416
C -4.518285 1.440721 0.116288
H 2.117757 -2.418479 -0.190793
H -2.173423 -1.994819 -0.113224
H 0.803117 2.248724 1.017739
H 1.169471 2.302809 -0.718782
H -0.485128 2.515149 -0.165056
H -0.156659 -3.429478 -0.205227
H -1.989359 1.721443 -0.023561
H 3.688857 0.251444 2.193270
H 3.538606 1.795964 1.620186
H -4.377290 2.092874 0.988033
H -5.546666 1.043111 0.181081
H -4.477880 2.062315 -0.787970


%chk=000232056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232056

0 1
S 3.110677 0.239278 -0.090937
O 4.091962 -1.049853 -0.263069
O 3.306956 1.548165 -1.040305
O -3.990476 -0.847492 -0.032230
N -2.203967 0.683479 0.046540
N 3.224177 0.925980 1.619878
C 0.222585 0.461681 -0.036740
C 1.322827 -0.416916 -0.105231
C -1.069266 -0.168781 -0.045346
C 1.241514 -1.816381 -0.202299
C -1.196106 -1.581050 -0.138225
C 0.337325 1.973654 0.050882
C -0.046669 -2.390292 -0.220758
C -3.562980 0.339780 0.050073
C -4.512713 1.529890 0.164522
H 2.154198 -2.416000 -0.270089
H -2.196519 -2.017063 -0.146866
H -0.020747 2.342836 1.031783
H 1.372986 2.318117 -0.076345
H -0.252552 2.463611 -0.749372
H -0.155637 -3.476560 -0.298177
H -2.000531 1.681437 0.120909
H 3.451156 0.163555 2.281061
H 3.947187 1.666251 1.603439
H -4.005617 2.508181 0.230257
H -5.145833 1.397223 1.058622
H -5.184240 1.536270 -0.711177


