%chk=000078030.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078030

0 1
 S   0.2365000       1.694200      6.0000003E-04
 S    2.786600      0.1723000     -9.9999997E-05
 O    3.155100     -0.5469000      -1.238800    
 O    3.176300     -0.5482000       1.232300    
 O    3.151700       1.603200      9.9999997E-05
 N   0.2082000     -0.8137000      1.2000001E-03
 C   -1.121100     -0.4562000      8.9999998E-04
 C    1.054400      0.1931000      8.9999998E-04
 C   -1.307700      0.9206000      5.0000002E-04
 C   -2.216400      -1.331600      1.1000000E-03
 C   0.6574000      -2.187000      3.0000001E-04
 C   -2.594000       1.477900      9.9999997E-05
 C   -3.501300     -0.7801000      6.0000003E-04
 C   -3.685700      0.6023000      1.9999999E-04
 H   0.2887000      -2.684000     -0.9033000    
 H    1.739800      -2.306300      2.2500001E-02
 H   0.2541000      -2.697800      0.8812000    
 H   -2.095700      -2.410100      1.0000000E-03
 H   -2.745900       2.552500     -1.9999999E-04
 H   -4.366600      -1.437800      6.0000003E-04
 H   -4.694200       1.008100     -1.9999999E-04


%chk=000078030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078030

0 1
S 0.200398 1.821620 0.024666
S 3.098480 0.136458 -0.108385
O 3.146746 -0.469491 -1.621000
O 3.440500 -0.915386 1.091246
O 3.464834 1.701566 0.108393
N 0.185346 -0.796049 0.080393
C -1.201604 -0.462540 0.039500
C 1.031034 0.254246 0.071072
C -1.403688 0.944327 0.011149
C -2.296961 -1.353529 0.023304
C 0.675681 -2.200237 0.106037
C -2.698082 1.495698 -0.024267
C -3.592578 -0.801655 -0.014393
C -3.793451 0.604765 -0.036050
H 0.631786 -2.624988 -0.909960
H 1.717263 -2.201084 0.468454
H 0.049115 -2.785399 0.797639
H -2.148908 -2.436991 0.032221
H -2.854946 2.577931 -0.044075
H -4.459194 -1.469878 -0.029451
H -4.811570 1.005117 -0.064993


