%chk=000240672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240672

0 1
S 3.012388 -3.243945 -1.214207
O 0.856882 2.428505 -0.659619
O -4.297712 -2.133532 -0.242205
O 5.869561 3.351130 1.633288
O -7.352810 2.344094 1.141076
O 5.945597 3.545049 -0.600509
O -7.719994 1.723097 -0.982899
N 1.874980 0.375571 -0.303448
N -2.966097 -0.249930 -0.456479
N 4.324634 -3.125716 1.007362
C 0.929025 -1.864618 -0.013287
C 0.726697 -0.473356 -0.234881
C -1.672371 -0.837147 -0.302243
C -0.568881 0.034884 -0.378828
C -0.192230 -2.706699 0.058480
C -1.485708 -2.212024 -0.082263
C 2.252782 -2.433088 0.139229
C 3.090453 -2.475499 1.220869
C 1.864386 1.769144 -0.518641
C -4.196557 -0.939751 -0.418825
C 4.437406 -3.585535 -0.214198
C 3.240890 2.362729 -0.582867
C -5.378471 -0.044110 -0.648888
C 4.002916 2.545794 0.494491
C -5.838225 0.799928 0.273738
C 5.334257 3.188675 0.378350
C -7.045173 1.620642 0.013569
H -0.717794 1.107248 -0.550561
H -0.044733 -3.776569 0.232237
H -2.343323 -2.891231 -0.021063
H 2.785546 -0.090713 -0.201037
H -2.978017 0.764087 -0.616078
H 2.896538 -2.074010 2.211921
H 5.290535 -4.122828 -0.611634
H 3.544957 2.678495 -1.591849
H -5.861433 -0.182984 -1.627406
H 3.711286 2.258710 1.511891
H -5.385705 0.936735 1.263274
H 6.768797 3.782972 1.613783
H -8.164080 2.912293 1.022256


%chk=000240672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240672

0 1
S 2.993291 -3.619212 -0.850415
O 0.569311 2.590250 -0.194843
O -4.367814 -2.376551 -0.632802
O 6.479858 2.296596 0.787900
O -6.962739 2.817910 0.681401
O 5.428706 4.210944 -0.029215
O -8.037453 1.247543 -0.666524
N 1.698073 0.523829 -0.074862
N -3.083589 -0.408885 -0.427406
N 4.502902 -2.558371 1.074689
C 0.928725 -1.803831 -0.004660
C 0.621389 -0.400213 -0.088602
C -1.768464 -0.927613 -0.300033
C -0.719902 0.022672 -0.223664
C -0.145052 -2.724200 -0.108392
C -1.482763 -2.318785 -0.254586
C 2.307328 -2.286182 0.182219
C 3.272637 -1.891808 1.112190
C 1.647554 1.916594 -0.127568
C -4.283904 -1.111708 -0.558827
C 4.526285 -3.480131 0.129209
C 2.961592 2.629381 -0.095242
C -5.521982 -0.272694 -0.608328
C 4.165379 2.135977 0.312570
C -5.706940 0.919986 0.025747
C 5.366531 3.009422 0.321044
C -7.012730 1.621493 -0.050054
H -0.919021 1.096757 -0.278999
H 0.079467 -3.794626 -0.047947
H -2.292883 -3.044982 -0.326009
H 2.627920 0.092304 -0.069879
H -3.149252 0.611781 -0.465314
H 3.100977 -1.161794 1.905955
H 5.371182 -4.133192 -0.086634
H 2.893554 3.683558 -0.391698
H -6.362029 -0.731998 -1.143923
H 4.327170 1.110750 0.665896
H -4.939047 1.404731 0.639403
H 7.278894 2.890190 0.789280
H -7.841960 3.280606 0.620825


