%chk=000285187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285187

0 1
S 0.797211 -1.715340 0.986924
S -4.434018 1.544983 0.447431
O 1.022433 -1.888150 2.410742
O 1.080692 -2.798172 0.086507
O -1.044720 -0.783951 -1.204529
N -0.938062 -1.433273 0.985383
N -3.057101 -1.147774 -0.111477
C 1.496107 -0.248715 0.458543
C 2.036441 0.638949 1.401376
C 1.564412 0.061799 -0.905855
C 2.704055 2.139860 -0.383313
C -3.830299 -0.537170 -1.220627
C 2.635131 1.825327 0.988169
C 2.165107 1.249759 -1.325712
C -1.650629 -1.086633 -0.183567
C -3.843433 0.988971 -1.175892
C 3.361660 3.401895 -0.829439
C -2.931987 2.141786 1.253361
H 1.993002 0.393034 2.469920
H 1.133362 -0.625223 -1.650065
H -1.461837 -1.713646 1.825822
H -3.386819 -0.877972 -2.190772
H -4.864160 -0.951041 -1.171764
H 3.055852 2.507188 1.724344
H 2.212837 1.481561 -2.388420
H -3.516658 -1.105712 0.800056
H -2.839734 1.400235 -1.401598
H -4.524995 1.399094 -1.946914
H 2.940962 3.787838 -1.768756
H 3.280372 4.207358 -0.086448
H 4.436955 3.236300 -1.005839
H -3.192469 2.415849 2.285156
H -2.533034 3.034405 0.758258
H -2.143836 1.382479 1.288694


%chk=000285187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285187

0 1
S 0.845865 -1.712505 0.941009
S -5.157255 1.304909 0.554847
O 1.096698 -1.907440 2.537300
O 1.127852 -2.919643 -0.094733
O -1.062802 -0.805634 -1.341570
N -0.954283 -1.259059 0.955251
N -3.039296 -1.000568 -0.094810
C 1.722314 -0.148577 0.370521
C 2.235700 0.688580 1.372529
C 1.878248 0.080931 -1.005190
C 3.139559 2.123089 -0.419631
C -3.917182 -0.593028 -1.199473
C 2.947792 1.836131 0.957580
C 2.596535 1.233989 -1.386879
C -1.659257 -1.019571 -0.243359
C -4.342855 0.887522 -1.114560
C 3.931734 3.342015 -0.854941
C -3.730776 2.219932 1.387426
H 2.098464 0.440431 2.429833
H 1.439384 -0.601029 -1.737693
H -1.395899 -1.602576 1.817799
H -3.363297 -0.765025 -2.139470
H -4.811085 -1.243025 -1.197289
H 3.363126 2.511020 1.714403
H 2.733072 1.447019 -2.453181
H -3.470219 -1.061315 0.830465
H -3.474966 1.557111 -1.235144
H -5.085792 1.123576 -1.894960
H 3.465974 3.837560 -1.725214
H 4.017581 4.083583 -0.042708
H 4.958613 3.056450 -1.154033
H -4.048986 2.414113 2.423847
H -3.541943 3.176161 0.875306
H -2.819817 1.600770 1.386423


