%chk=000227334.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227334

0 1
 S    1.713000       2.211800      8.3099999E-02
 O   0.2950000     -0.6312000     -4.4000000E-02
 O   -1.776600      -2.033000     -0.6979000    
 N   -3.640300      -1.294400      0.4288000    
 N   -4.219400      -2.549800      0.3934000    
 C  -0.4784000      0.5016000     -4.0700000E-02
 C  -9.4999997E-03   1.813500      1.1900000E-02
 C   -1.858000      0.2564000     -9.5299996E-02
 C    1.664500     -0.5692000     -9.9999997E-05
 C    2.430500      0.5944000      5.7500001E-02
 C  -0.9328000       2.870400      9.4999997E-03
 C   -2.768000       1.311600     -9.7599998E-02
 C   -2.304500       2.620800     -4.5000002E-02
 C    2.298100      -1.820300     -1.6100001E-02
 C    3.829600      0.4909000      9.7800002E-02
 C   -2.385700      -1.102800     -0.1509000    
 C    3.687700      -1.914200      2.4300000E-02
 C    4.454700     -0.7565000      8.1400000E-02
 H  -0.5958000       3.904400      4.8200000E-02
 H   -3.840900       1.161800     -0.1741000    
 H   -3.006800       3.449000     -5.4400001E-02
 H    1.706600      -2.732000     -6.0699999E-02
 H    4.452900       1.381900      0.1430000    
 H    4.168600      -2.887600      1.1300000E-02
 H    5.538300     -0.8217000      0.1133000    
 H   -4.142400     -0.5706000      0.9324000    
 H   -4.388400      -2.824000       1.360300    
 H   -5.138700      -2.438100     -3.2200001E-02


%chk=000227334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227334

0 1
S 1.688482 2.222757 0.818230
O 0.209010 -0.518646 0.750890
O -1.894669 -2.012209 -0.774822
N -3.619210 -1.281166 0.604292
N -4.295859 -2.529549 0.629859
C -0.558747 0.584076 0.316256
C -0.039849 1.898965 0.288824
C -1.909232 0.330943 -0.027556
C 1.588871 -0.569976 0.410473
C 2.400815 0.585048 0.380925
C -0.874046 2.977275 -0.075988
C -2.746334 1.427600 -0.357236
C -2.232706 2.742247 -0.384103
C 2.123544 -1.842552 0.137534
C 3.772087 0.463208 0.071357
C -2.434204 -1.083459 -0.105454
C 3.502391 -1.964364 -0.143873
C 4.325301 -0.814135 -0.178625
H -0.464261 3.992064 -0.111089
H -3.789378 1.240081 -0.633656
H -2.880821 3.580666 -0.657331
H 1.449617 -2.703739 0.147498
H 4.402517 1.357883 0.033231
H 3.928029 -2.952477 -0.346499
H 5.392464 -0.905597 -0.405185
H -3.988684 -0.561110 1.227494
H -3.670154 -3.268042 0.984798
H -4.631673 -2.772691 -0.313045