%chk=000031614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031614

0 1
 S   0.9558000       1.573000     -4.4999998E-03
 S    4.640100     -0.8288000     -2.8600000E-02
 N   -1.732900       1.549800      2.4000001E-03
 N  -0.8372000     -0.4844000     -4.4999998E-03
 C   -2.794800      0.6823000      3.4000000E-03
 C   -2.209800     -0.5809000     -1.1000000E-03
 C  -0.5860000      0.8056000     -2.2000000E-03
 C    2.072900      0.1399000     -1.0800000E-02
 C    3.522200      0.6046000     -1.3700000E-02
 C   -4.174900      0.8878000      7.7000000E-03
 C   -3.035300      -1.718000     -1.4000000E-03
 C   -4.981500     -0.2551000      7.4000000E-03
 C   -4.423900      -1.535600      2.7999999E-03
 C    6.209800      6.4999998E-02  2.2800000E-02
 C    7.375700     -0.9053000      2.0199999E-02
 H    1.866500     -0.4682000      0.8774000    
 H    1.861400     -0.4633000     -0.9011000    
 H   -1.787200       2.559500      4.8000002E-03
 H    3.730400       1.213400     -0.9003000    
 H    3.735300       1.200900      0.8804000    
 H   -4.605400       1.882800      1.1200000E-02
 H   -2.611800      -2.717300     -4.9000001E-03
 H   -6.063000     -0.1434000      1.0800000E-02
 H   -5.076700      -2.404700      2.7000001E-03
 H    6.280100      0.7243000     -0.8480000    
 H    6.247600      0.6800000      0.9275000    
 H    7.350900      -1.566800      0.8930000    
 H    7.383900      -1.522500     -0.8847000    
 H    8.320600     -0.3526000      5.1500000E-02


%chk=000031614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031614

0 1
S 0.966242 1.748798 0.011682
S 4.656102 -0.859408 0.007251
N -1.825613 1.647639 0.004695
N -0.829499 -0.413183 0.004088
C -2.883050 0.717629 0.000540
C -2.239317 -0.568154 0.000219
C -0.632509 0.911337 0.006528
C 2.080708 0.202325 0.012007
C 3.535978 0.673098 0.009273
C -4.283271 0.864493 -0.002895
C -3.019116 -1.745299 -0.003566
C -5.045612 -0.325848 -0.006702
C -4.424173 -1.607701 -0.007024
C 6.331638 0.036170 0.010448
C 7.461478 -1.003679 0.006828
H 1.823941 -0.380654 0.909340
H 1.820905 -0.382630 -0.883164
H -1.905027 2.662820 0.006022
H 3.763649 1.267602 -0.893026
H 3.767250 1.267692 0.910620
H -4.769413 1.845694 -0.002675
H -2.537017 -2.727535 -0.003773
H -6.139185 -0.260591 -0.009438
H -5.053338 -2.504422 -0.010008
H 6.373904 0.678500 -0.886918
H 6.373984 0.672453 0.912092
H 7.409420 -1.652743 0.898896
H 7.409833 -1.645843 -0.890223
H 8.443909 -0.496560 0.009087


