%chk=000059822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059822

0 1
 S    2.856400       1.441600     -3.0000001E-04
 O  -0.5951000      -1.664900     -1.9999999E-04
 O   -4.485200       1.536200     -9.9999997E-05
 N   0.4153000      0.4601000     -1.7000000E-03
 N    2.295900      -1.058900     -8.9999998E-04
 N    3.677900     -0.9854000      1.0000000E-03
 N   -5.472700     -0.5417000      1.2000001E-03
 C    1.773900      0.1286000     -1.6000000E-03
 C    4.100600      0.2607000      1.3000000E-03
 C  -0.6413000     -0.4405000     -1.1000000E-03
 C    5.516100      0.6806000      1.3000000E-03
 C   -1.950600      0.2816000      9.9999997E-05
 C   -3.096400     -0.4113000      5.0000002E-04
 C   -4.394800      0.3133000      5.0000002E-04
 H   0.2274000       1.459500     -1.8000000E-03
 H    6.176000     -0.1930000      2.9000000E-03
 H    5.750200       1.273500     -0.8887000    
 H    5.749400       1.276100      0.8898000    
 H   -1.938800       1.366700      9.9999997E-05
 H   -3.115800      -1.495900      3.0000001E-04
 H   -5.376700      -1.552400      1.7000000E-03
 H   -6.420800     -0.1798000      1.3000000E-03


%chk=000059822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059822

0 1
S 2.954132 1.643516 0.000325
O -0.540945 -1.667398 0.001273
O -4.614075 1.519982 -0.000689
N 0.389958 0.509876 0.000339
N 2.317390 -0.978018 0.000554
N 3.720678 -0.919471 0.000590
N -5.597814 -0.589277 -0.000011
C 1.753524 0.226271 0.000389
C 4.230891 0.305394 0.000342
C -0.689280 -0.419758 0.000842
C 5.694270 0.619561 0.000128
C -2.014462 0.268443 0.000310
C -3.172484 -0.442880 0.000445
C -4.498476 0.255307 -0.000047
H 0.132418 1.498994 -0.000086
H 6.255767 -0.328299 0.000886
H 5.983870 1.201924 -0.892870
H 5.983845 1.203386 0.892171
H -2.080455 1.365665 -0.000184
H -3.122603 -1.540201 0.000939
H -5.505820 -1.603818 0.000390
H -6.529429 -0.174499 -0.000437


