%chk=000257586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257586

0 1
S 3.222800 0.187900 0.108515
O 3.496186 1.457046 0.762159
O 3.847369 -1.026633 0.612674
O -3.479539 1.399253 -0.191759
N -2.652033 -0.747560 0.002728
C 1.512047 -0.061814 0.065131
C 0.637919 1.030362 0.036656
C 0.996276 -1.361797 0.105448
C -1.255493 -0.471972 0.026431
C -0.741020 0.838258 0.006084
C -0.377963 -1.581172 0.079564
C 3.674983 0.354487 -1.582370
C -3.699070 0.212618 -0.094785
C -5.070819 -0.396671 -0.069828
H 1.036734 2.052210 0.048615
H 1.680037 -2.218355 0.167491
H -1.417074 1.700650 -0.023312
H -0.762017 -2.597062 0.110532
H 4.122695 1.336140 -1.797488
H 4.432695 -0.384492 -1.882703
H 2.845717 0.238961 -2.287436
H -2.910565 -1.735731 0.070397
H -5.245244 -1.087872 -0.905516
H -5.833428 0.398514 -0.152615
H -5.278694 -0.934070 0.865888


%chk=000257586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257586

0 1
S 3.329248 0.108283 0.107324
O 3.636248 1.498941 0.913783
O 3.960381 -1.334097 0.560736
O -3.594572 1.481533 0.054837
N -2.713215 -0.694210 -0.026700
C 1.453005 -0.108584 0.025491
C 0.634786 1.028552 0.112779
C 0.943844 -1.415801 -0.047959
C -1.315002 -0.445969 -0.004843
C -0.765847 0.864389 0.091426
C -0.453343 -1.578679 -0.065844
C 3.869007 0.397498 -1.709688
C -3.767479 0.230318 0.006170
C -5.159808 -0.393820 -0.017486
H 1.080595 2.022635 0.226330
H 1.624509 -2.273623 -0.057495
H -1.437372 1.721890 0.154275
H -0.877938 -2.588851 -0.119535
H 3.364317 1.310651 -2.053403
H 4.960146 0.519195 -1.660860
H 3.575325 -0.495108 -2.278603
H -2.982689 -1.679588 -0.069011
H -5.160638 -1.494292 -0.102610
H -5.726559 0.029595 -0.864044
H -5.694451 -0.109659 0.905434


