%chk=000295935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295935

0 1
S -1.773637 0.860335 0.001384
O 4.894435 0.593078 0.243094
O 2.932359 2.341187 0.026652
O 4.452666 -1.622700 0.416971
N 0.818521 1.541575 0.025901
N 0.323215 -0.797415 0.212084
C -4.042625 -0.426404 0.041804
C -2.592043 -0.764941 0.116771
C -0.060938 0.487758 0.088664
C 2.641611 -0.068814 0.222927
C -4.691222 -0.375177 -1.202782
C -4.765765 -0.159230 1.215709
C 2.284141 1.328212 0.091734
C 1.671155 -1.059791 0.277947
C -6.051075 -0.061538 -1.268806
C -6.125350 0.153756 1.141976
C 4.051445 -0.481327 0.302233
C -6.769705 0.203227 -0.098455
C 6.336023 0.330744 0.291192
C 6.811607 -0.188517 -1.048948
H -2.306229 -1.281122 1.057487
H -2.250813 -1.433817 -0.701271
H -4.137257 -0.579704 -2.118317
H -4.269875 -0.195517 2.185103
H 0.495087 2.513412 -0.068005
H 1.947112 -2.125378 0.379189
H -6.552052 -0.023501 -2.235550
H -6.684243 0.359627 2.054272
H -7.829658 0.447094 -0.152877
H 6.710849 1.344465 0.527007
H 6.538413 -0.371408 1.118726
H 7.905385 -0.237224 -1.095894
H 6.425214 -1.200933 -1.242001
H 6.468048 0.452188 -1.871921


%chk=000295935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295935

0 1
S -1.787830 1.185903 0.044733
O 5.035191 0.547161 0.234428
O 3.060613 2.527704 0.007884
O 4.341639 -1.673780 0.400508
N 0.888152 1.701344 0.048259
N 0.299118 -0.594761 0.241261
C -4.118637 -0.375813 0.076038
C -2.626487 -0.549536 0.190670
C -0.045745 0.693742 0.121435
C 2.679944 0.082118 0.221620
C -4.754657 -0.428627 -1.191847
C -4.910771 -0.163725 1.234561
C 2.333570 1.505604 0.090082
C 1.651002 -0.866401 0.287471
C -6.154413 -0.276983 -1.299266
C -6.310758 -0.011599 1.128885
C 4.071407 -0.445995 0.291185
C -6.935933 -0.067565 -0.138789
C 6.460482 0.091112 0.280065
C 6.952661 -0.278662 -1.121959
H -2.301153 -0.951735 1.160920
H -2.185501 -1.153261 -0.615396
H -4.150452 -0.590912 -2.092505
H -4.428061 -0.120616 2.218347
H 0.603641 2.684263 -0.043595
H 1.925100 -1.921710 0.384681
H -6.634770 -0.324331 -2.282665
H -6.912205 0.147382 2.030555
H -8.022249 0.048435 -0.221447
H 6.990037 0.966406 0.687800
H 6.536481 -0.765142 0.973193
H 8.032259 -0.516048 -1.086697
H 6.417425 -1.163604 -1.504740
H 6.805697 0.561831 -1.821675


