%chk=000016406.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016406

1 1
 S    3.425200     -0.2868000      -1.049500    
 O   -5.647700      -1.676100      0.2775000    
 N   -2.953700      0.8747000     -0.2107000    
 N   0.6601000     -6.2500000E-02  0.3533000    
 C   -1.502800      0.7769000     -0.5338000    
 C   -3.587500     -0.5197000     -0.1464000    
 C  -0.7809000      6.1999999E-02  0.6073000    
 C   -3.159600       1.560100       1.145000    
 C   -3.690600       1.690000      -1.279400    
 C   -1.352300      9.1100000E-02  -1.885200    
 C   -5.061600     -0.3848000      0.1808000    
 C    1.195000      -1.371900      0.2545000    
 C    1.418400       1.134200      0.2940000    
 C    2.452200      -1.599700     -0.3395000    
 C    2.697800       1.154700     -0.2957000    
 C   0.5182000      -2.497300      0.7735000    
 C   0.9497000       2.344700      0.8498000    
 C    2.981600      -2.899500     -0.4279000    
 C    3.449200       2.342400     -0.3444000    
 C    1.051300      -3.786300      0.6875000    
 C    1.702700       3.521300      0.8033000    
 C    2.282800      -3.988100      8.3300002E-02
 C    2.952500       3.520700      0.2028000    
 H   -1.144100       1.805800     -0.6426000    
 H   -3.479300      -1.030100      -1.107300    
 H   -3.123100      -1.124200      0.6350000    
 H  -0.9148000      0.5323000       1.586000    
 H   -1.244600     -0.9070000      0.7143000    
 H   -2.478100       2.414200       1.204300    
 H   -4.183100       1.938900       1.219400    
 H   -2.973600      0.8493000       1.955100    
 H   -3.884500       1.067900      -2.157400    
 H   -4.640200       2.056100     -0.8776000    
 H   -3.072800       2.554800      -1.541600    
 H   -1.936200      0.5391000      -2.691800    
 H  -0.3089000      0.1760000      -2.214500    
 H   -1.555600     -0.9834000      -1.850300    
 H   -5.242600      9.9699996E-02   1.142700    
 H   -5.618000      0.1460000     -0.5956000    
 H  -0.4108000      -2.432800       1.329800    
 H  -6.8000001E-03   2.411100       1.359100    
 H   -6.589500      -1.549800      0.4844000    
 H    3.947600      -3.077600     -0.8963000    
 H    4.432600       2.361500     -0.8099000    
 H   0.5080000      -4.627300       1.108800    
 H    1.310000       4.433500       1.242800    
 H    2.702200      -4.987100      1.5600000E-02
 H    3.541200       4.432000      0.1633000    


%chk=000016406-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016406

1 1
S 2.821945 -0.066048 -1.643048
O -5.828654 -1.281731 0.741231
N -3.026839 0.968274 -0.362494
N 0.560646 -0.241498 0.368278
C -1.532553 0.507263 -0.661489
C -3.875643 -0.244736 0.046097
C -0.893390 -0.255456 0.547335
C -3.009341 2.015118 0.753856
C -3.598873 1.629917 -1.616153
C -1.404153 -0.308189 -1.956491
C -5.377109 0.021981 0.258690
C 1.289051 -1.476684 0.248090
C 1.272962 1.002879 0.447383
C 2.408108 -1.541318 -0.622361
C 2.395938 1.217053 -0.397175
C 0.941040 -2.627226 1.000234
C 0.898366 2.027369 1.355520
C 3.161491 -2.725286 -0.748582
C 3.134927 2.415145 -0.329150
C 1.668107 -3.827678 0.842947
C 1.615153 3.244742 1.396749
C 2.778834 -3.880513 -0.029135
C 2.734570 3.441755 0.557299
H -0.996649 1.468734 -0.776795
H -3.759831 -1.011975 -0.735213
H -3.463124 -0.639026 0.988429
H -1.199340 0.179828 1.519228
H -1.228379 -1.305085 0.536488
H -2.254956 2.779302 0.511814
H -4.000706 2.484948 0.829411
H -2.761071 1.535558 1.710403
H -3.766314 0.869637 -2.390525
H -4.550483 2.121354 -1.364982
H -2.881785 2.382566 -1.978670
H -1.647325 0.268622 -2.862768
H -0.341407 -0.596053 -2.042809
H -1.994902 -1.241463 -1.946482
H -5.555306 0.815118 1.014303
H -5.881814 0.302516 -0.687846
H 0.122537 -2.583803 1.727626
H 0.075942 1.862967 2.061139
H -6.810706 -1.295442 0.862568
H 4.032515 -2.746445 -1.411241
H 4.010749 2.547811 -0.972258
H 1.381978 -4.711960 1.421379
H 1.317433 4.024930 2.105159
H 3.352343 -4.805690 -0.139798
H 3.301018 4.376917 0.599608


