%chk=000070777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070777

0 1
 S    4.230000      0.4904000      2.0000001E-03
 O   -2.622200       1.423000     -1.6000000E-03
 N   -1.615300     -0.7089000       0.000000    
 C  -0.2484000     -0.4294000     -6.9999998E-04
 C   0.1918000      0.8941000     -3.0000001E-04
 C   0.6777000      -1.472500     -8.9999998E-04
 C    1.558300       1.174500     -1.9999999E-04
 C    2.044100      -1.192000     -6.9999998E-04
 C    2.484300      0.1315000     -3.9999999E-04
 C   -2.683800      0.1978000      1.1000000E-03
 C   -4.016400     -0.5084000      1.5000000E-03
 H  -0.4637000       1.753700      3.9999999E-04
 H   0.3486000      -2.508700     -8.9999998E-04
 H   -1.856200      -1.698000      9.9999997E-05
 H    1.879300       2.213400      5.0000002E-04
 H    2.750800      -2.018200     -3.9999999E-04
 H   -4.115700      -1.110100     -0.9063000    
 H   -4.825500      0.2265000      3.1500001E-02
 H   -4.093300      -1.155800      0.8796000    
 H    4.132900       1.827800     -2.7200000E-02


%chk=000070777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070777

0 1
S 4.359502 0.400831 -0.004356
O -2.664225 1.427077 0.003257
N -1.645937 -0.691198 0.004298
C -0.260857 -0.357416 0.001936
C 0.221587 0.978871 -0.000474
C 0.672917 -1.428915 0.001678
C 1.610780 1.220328 -0.002449
C 2.057608 -1.179471 -0.001318
C 2.538772 0.152897 -0.003376
C -2.753300 0.164539 0.003529
C -4.094668 -0.572704 -0.000316
H -0.491793 1.804825 -0.000304
H 0.319182 -2.468648 0.003109
H -1.853554 -1.693124 0.005773
H 1.961338 2.259686 -0.003332
H 2.757174 -2.022417 -0.002796
H -4.212291 -1.184819 -0.914285
H -4.901875 0.173663 0.030342
H -4.192010 -1.238926 0.877368
H 4.328952 1.785620 -0.021182


