%chk=000257555.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257555

0 1
S 1.558172 -0.227928 0.323487
O 2.083916 0.707662 1.292657
O 1.852700 -1.643021 0.419961
O -1.844290 3.692468 0.230317
O -2.532103 -3.401696 0.025369
O -3.961559 2.963828 0.171897
O -4.470329 -2.278440 0.036389
N 2.040864 0.301857 -1.239050
C 3.243652 1.174882 -1.317755
C 4.556621 0.417550 -1.567156
C 5.008764 -0.423972 -0.366802
C -0.172845 -0.053362 0.243670
C -0.978476 -1.192465 0.185923
C -0.744177 1.220250 0.252908
C 6.411209 -0.990139 -0.574778
C -2.375999 -1.055075 0.126787
C -2.142524 1.356855 0.193012
C -2.962977 0.219939 0.131103
C -2.785727 2.686643 0.196757
C -3.262911 -2.235081 0.062199
H 3.322641 1.793121 -0.390440
H 3.065424 1.892697 -2.153753
H 4.468143 -0.226454 -2.463286
H 5.345864 1.156155 -1.817278
H 2.059300 -0.415860 -1.978074
H 4.297538 -1.258682 -0.191155
H 4.985752 0.188514 0.557978
H -0.529787 -2.201920 0.190653
H -0.117027 2.123620 0.311487
H 6.465384 -1.623508 -1.467242
H 7.158815 -0.196866 -0.685087
H 6.713808 -1.607054 0.280374
H -4.058295 0.327151 0.087310
H -2.260702 4.598731 0.241499
H -3.113339 -4.211600 -0.010979


%chk=000257555-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257555

0 1
S 1.616031 -0.178363 0.335169
O 2.176552 1.072120 1.217325
O 1.917426 -1.737452 0.719416
O -1.989536 3.772226 0.513944
O -2.598247 -3.421655 -0.145958
O -4.142868 2.906690 0.365355
O -4.576169 -2.199548 -0.094311
N 2.105300 0.164574 -1.456470
C 3.297646 1.053849 -1.593764
C 4.667858 0.343252 -1.659423
C 5.105996 -0.346862 -0.346357
C -0.263599 -0.002502 0.240092
C -1.021906 -1.172681 0.116070
C -0.813382 1.282050 0.335818
C 6.507057 -0.984381 -0.465280
C -2.433861 -1.039472 0.071710
C -2.226183 1.396019 0.292725
C -3.030312 0.239724 0.156579
C -2.904952 2.721820 0.389800
C -3.325145 -2.229417 -0.059914
H 3.270068 1.766625 -0.746036
H 3.117084 1.637127 -2.517919
H 4.661235 -0.397147 -2.487981
H 5.425982 1.104802 -1.935830
H 2.263372 -0.783653 -1.854100
H 4.374065 -1.128125 -0.058850
H 5.098374 0.396759 0.474462
H -0.547023 -2.157608 0.079030
H -0.182895 2.166962 0.460109
H 6.530346 -1.751341 -1.262870
H 7.273463 -0.223781 -0.708094
H 6.803108 -1.473178 0.480229
H -4.120719 0.335763 0.125039
H -2.481524 4.633749 0.582917
H -3.227145 -4.188146 -0.223730


