%chk=000088722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088722

0 1
 S  -3.1999999E-03   1.370900      6.0000003E-04
 O   -1.079600      0.1364000     -6.0000003E-04
 O  -0.1173000       2.083700      -1.263200    
 O  -0.1486000       2.073400       1.268300    
 N   -2.404700      0.5920000     -6.0000003E-04
 N   -5.810800      6.3500002E-02 -1.7000000E-03
 N   -2.151100      -2.724000     -1.2000001E-03
 C    1.562300      0.5979000      3.9999999E-04
 C    4.064000     -0.6365000      5.0000002E-04
 C    2.188300      0.2900000      -1.207600    
 C    2.187300      0.2886000       1.208300    
 C    3.439200     -0.3273000      -1.207600    
 C    3.438200     -0.3285000       1.208500    
 C    5.402100      -1.295200      7.9999998E-04
 C   -3.255000     -0.3795000     -1.6000000E-03
 C   -4.667000     -0.1320000     -1.7000000E-03
 C   -2.644000      -1.673500     -1.5000000E-03
 H    1.717900      0.5142000      -2.160800    
 H    1.715900      0.5125000       2.161000    
 H    3.916900     -0.5620000      -2.155100    
 H    3.915300     -0.5642000       2.156000    
 H    5.526600      -1.936400      0.8800000    
 H    5.528900      -1.932800     -0.8808000    
 H    6.193100     -0.5388000      3.3000000E-03


%chk=000088722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088722

0 1
S 0.121351 1.737216 0.001133
O -1.100500 0.003857 -0.001812
O -0.130065 2.477279 -1.413296
O -0.132003 2.473776 1.416995
N -2.404418 0.386774 -0.002068
N -5.854827 0.015098 -0.002352
N -2.655440 -3.169135 -0.002507
C 1.716471 0.774477 0.001076
C 4.109950 -0.661932 0.001042
C 2.277690 0.431392 -1.241082
C 2.276298 0.429008 1.243208
C 3.489589 -0.289926 -1.222933
C 3.488218 -0.292250 1.225038
C 5.423118 -1.417787 0.001099
C -3.298065 -0.611350 -0.002545
C -4.690195 -0.254340 -0.002407
C -2.951257 -2.010469 -0.002600
H 1.797247 0.723753 -2.179797
H 1.794773 0.719564 2.181930
H 3.955774 -0.571737 -2.173250
H 3.953354 -0.575856 2.175338
H 5.524034 -2.057946 0.893876
H 5.526403 -2.054042 -0.894182
H 6.277199 -0.713025 0.003797


