%chk=000178483.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178483

0 1
 S   -4.120800       1.355600      1.0000000E-03
 N   -2.347700     -0.7112000     -1.6000000E-03
 N   -1.409600       1.302700     -2.4000001E-03
 N    1.482100       1.700100     -2.2000000E-03
 N    3.114100     -0.5777000      1.4000000E-03
 C  -0.9955000     -0.9362000     -1.9999999E-04
 C  -0.4301000      0.3341000     -6.9999998E-04
 C  -0.2385000      -2.105000      1.1000000E-03
 C   0.9734000      0.4488000     -6.9999998E-04
 C    1.775300     -0.7055000      8.9999998E-04
 C    1.155400      -1.954700      1.9000000E-03
 C   -2.545100      0.6413000     -2.7000001E-03
 C  -0.8225000      -3.478000      7.9999998E-04
 C   -3.373700      -1.732400     -1.4000000E-03
 C    3.623900      0.6724000      1.9999999E-04
 C    2.823400       1.790400     -1.5000000E-03
 C    5.106800      0.8072000      8.9999998E-04
 C   -3.770700       3.148200      5.2000000E-03
 H    1.786000      -2.843800      2.7000001E-03
 H   -1.420600      -3.645100     -0.8994000    
 H  -4.1600000E-02  -4.246800      8.3999997E-03
 H   -1.432900      -3.640800      0.8934000    
 H   -4.375200      -1.302700     -1.0200000E-02
 H   -3.257400      -2.341500     -0.9004000    
 H   -3.267200      -2.330700      0.9061000    
 H    3.227400       2.795700     -2.6000000E-03
 H    5.439900       1.348800      0.8919000    
 H    5.590700     -0.1751000      2.4000001E-03
 H    5.441000       1.346700     -0.8910000    
 H   -4.715900       3.697100      7.7000000E-03
 H   -3.204200       3.424000     -0.8882000    
 H   -3.202000       3.419400      0.8985000    


%chk=000178483-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178483

0 1
S -4.281449 1.360883 0.003965
N -2.425523 -0.752416 0.001027
N -1.483238 1.341736 0.002363
N 1.524887 1.816803 0.001579
N 3.155629 -0.556955 0.000237
C -1.023241 -0.948375 0.000729
C -0.468920 0.370568 0.001378
C -0.221157 -2.137081 -0.000038
C 0.950461 0.557864 0.001121
C 1.768629 -0.641491 0.000447
C 1.164729 -1.941927 0.000012
C -2.623911 0.637645 0.002280
C -0.793551 -3.543766 -0.001473
C -3.488614 -1.766408 0.001412
C 3.704848 0.680757 0.000644
C 2.872223 1.856842 0.001320
C 5.212204 0.795440 0.000340
C -3.766631 3.172669 0.000918
H 1.843946 -2.800416 -0.000431
H -1.412838 -3.738985 -0.896572
H 0.021351 -4.285708 0.004216
H -1.423698 -3.736829 0.886383
H -4.466829 -1.260106 -0.007823
H -3.425301 -2.407363 -0.893714
H -3.436152 -2.396155 0.905309
H 3.332193 2.852549 0.001645
H 5.573618 1.343993 0.890373
H 5.657428 -0.211472 -0.000175
H 5.573201 1.344706 -0.889427
H -4.707825 3.743225 0.002943
H -3.171527 3.376793 -0.899060
H -3.166742 3.378280 0.897368


