%chk=000094898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094898

0 1
 S    2.947200       1.274800     -8.9999998E-04
 N   -2.438700     -0.6934000     -3.9999999E-04
 N   -2.141400       1.515600     -9.9999997E-05
 N   0.2893000       1.474300      3.9999999E-04
 N    1.238100     -0.7733000      6.0000003E-04
 N  -0.1387000      -2.736700     -1.9999999E-04
 C   -1.086500     -0.5014000      9.9999997E-05
 C  -0.9271000      0.8779000      3.0000001E-04
 C   1.0700000E-02  -1.340100      1.9999999E-04
 C   -3.028000      0.5433000     -3.9999999E-04
 C    1.300900      0.5797000      6.9999998E-04
 C    3.974200     -0.2206000     -3.0000001E-04
 H   -2.920000      -1.583100     -6.9999998E-04
 H   -4.102000      0.6633000     -6.9999998E-04
 H   0.6873000      -3.319600     -5.0000002E-04
 H   -1.058100      -3.156900     -1.0000000E-03
 H    3.788000     -0.8195000      0.8955000    
 H    5.027100      7.4600004E-02 -1.1000000E-03
 H    3.786900     -0.8211000     -0.8948000    


%chk=000094898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094898

0 1
S 2.975689 1.293593 -0.000840
N -2.555426 -0.688562 0.000115
N -2.176887 1.572314 0.000071
N 0.300192 1.458187 -0.000767
N 1.215269 -0.818427 -0.001072
N -0.083742 -2.768524 -0.000616
C -1.158897 -0.529722 -0.000316
C -0.941508 0.889887 -0.000362
C -0.024620 -1.388692 -0.000671
C -3.102140 0.601036 0.000281
C 1.309865 0.551314 -0.001258
C 4.056691 -0.239880 0.000490
H -3.087020 -1.557212 0.000316
H -4.177128 0.772009 0.000617
H 0.799225 -3.275822 -0.000898
H -0.958234 -3.284378 -0.000590
H 3.861855 -0.841442 0.899811
H 5.093553 0.134673 0.000609
H 3.862464 -0.842553 -0.898221


