%chk=000004585.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004585

0 1
 S   0.6889000       3.466000     -2.6200000E-02
 N   -1.422300      -1.024900      3.8600001E-02
 N   -4.201700      -1.654600      4.1000000E-03
 N   0.8816000      -1.238100      2.9600000E-02
 N    2.359300       1.460100     -1.6200000E-02
 C   -2.107600      -1.367600       1.284100    
 C   -2.030000      -1.575700      -1.172300    
 C   -3.593300      -1.017400       1.180900    
 C   -3.517300      -1.221200      -1.222500    
 C  -0.2118000     -0.3954000      2.3499999E-02
 C  -0.1553000      0.9554000      4.6000001E-03
 C   -5.629100      -1.345500     -6.7199998E-02
 C    1.113500       1.734600     -1.0700000E-02
 C    2.269200      -1.044300      1.4600000E-02
 C   -1.309200       1.846800     -2.0999999E-03
 C    2.930800      0.1877000     -7.7999998E-03
 C   -1.016100       3.152500     -1.7600000E-02
 C    3.057300      -2.223500      2.1600001E-02
 C    4.344100      0.1989000     -2.2200000E-02
 C   -1.999700       4.270100     -2.8700000E-02
 C    4.450300      -2.192300      7.1000000E-03
 C    5.098400     -0.9718000     -1.5300000E-02
 H   -1.670800     -0.8292000       2.134300    
 H   -1.981000      -2.439300       1.482500    
 H   -1.896100      -2.664600      -1.181100    
 H   -1.538200      -1.182200      -2.070600    
 H   -4.090500      -1.371600       2.092100    
 H   -3.723900      7.1199998E-02   1.145600    
 H   -3.636400     -0.1401000      -1.371900    
 H   -3.959800      -1.720900      -2.092700    
 H   -6.090300      -1.854700     -0.9207000    
 H   -5.816600     -0.2700000     -0.1648000    
 H   -6.145700      -1.705700      0.8294000    
 H   0.6012000      -2.215200      4.8200000E-02
 H   -2.326500       1.484800     -3.7000000E-03
 H    2.571100      -3.198700      3.8699999E-02
 H    4.873500       1.151200     -3.9400000E-02
 H   -1.871300       4.907800      0.8522000    
 H   -3.030100       3.898600     -2.2000000E-02
 H   -1.875400       4.886700     -0.9250000    
 H    5.018200      -3.117300      1.3000000E-02
 H    6.182600     -0.9241000     -2.6900001E-02


%chk=000004585-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004585

0 1
S 0.880299 3.541551 1.050794
N -1.500770 -0.884485 0.395763
N -4.221155 -1.762454 0.048325
N 0.819186 -1.199293 0.339913
N 2.466445 1.354425 0.706387
C -2.570769 -0.410052 1.304524
C -1.788478 -2.214168 -0.188988
C -3.935938 -0.415088 0.595922
C -3.160554 -2.183242 -0.895003
C -0.234476 -0.287736 0.329193
C -0.058609 1.108576 0.306478
C -5.572817 -1.862300 -0.535892
C 1.216926 1.743787 0.667952
C 2.178995 -1.034351 -0.121390
C -1.136678 2.075265 0.107481
C 2.946326 0.143666 0.152524
C -0.846460 3.371417 0.448080
C 2.783385 -2.151731 -0.736250
C 4.325514 0.123351 -0.188514
C -1.711842 4.595212 0.357969
C 4.159812 -2.149055 -1.069914
C 4.932423 -1.002691 -0.787077
H -2.322219 0.596095 1.672710
H -2.626324 -1.099805 2.174081
H -1.819334 -2.997135 0.600368
H -1.002770 -2.468800 -0.920114
H -4.724957 -0.154350 1.325365
H -3.940123 0.366535 -0.208289
H -3.092840 -1.498548 -1.779509
H -3.397363 -3.197905 -1.266287
H -5.761621 -2.900621 -0.862116
H -5.726015 -1.188390 -1.415910
H -6.326572 -1.602972 0.228748
H 0.612739 -2.109990 0.755662
H -2.103221 1.791487 -0.319886
H 2.171891 -3.039621 -0.943025
H 4.901389 1.023676 0.045888
H -1.832881 5.084673 1.343833
H -2.716593 4.325222 -0.013928
H -1.284665 5.350337 -0.329636
H 4.613237 -3.030993 -1.534218
H 6.001477 -0.982998 -1.024916


