%chk=000005430.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005430

0 1
 S    4.452100     -0.7710000      6.0000003E-04
 N  -0.2155000       1.093200     -5.0000002E-04
 N  -0.1725000      -1.129000     -3.9999999E-04
 N    2.740900       1.166600     -9.9999997E-05
 C   -1.529800      0.7016000     -1.9999999E-04
 C   -1.476400     -0.6895000     -1.9999999E-04
 C   0.5562000     -3.5200000E-02 -3.9999999E-04
 C    2.030300     -1.8100001E-02 -1.9999999E-04
 C   -2.724300       1.422800      1.9999999E-04
 C   -2.676100      -1.421000     -9.9999997E-05
 C   -3.908700      0.6788000      6.0000003E-04
 C   -3.887200     -0.7179000      3.0000001E-04
 C    2.784700      -1.172800      1.9999999E-04
 C    4.026300      0.8915000      1.9999999E-04
 H   0.1195000       2.047600     -5.0000002E-04
 H   -2.738400       2.506700      1.9999999E-04
 H   -2.670100      -2.506300     -9.9999997E-05
 H   -4.863800       1.198300      8.9999998E-04
 H   -4.824400      -1.268500      5.0000002E-04
 H    2.459300      -2.204000      1.9999999E-04
 H    4.780300       1.666600      3.0000001E-04


%chk=000005430-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005430

0 1
S 4.594292 -0.683690 0.000078
N -0.163090 1.034282 0.000146
N -0.211736 -1.256662 0.000076
N 2.661011 1.145977 -0.000014
C -1.518136 0.690519 0.000136
C -1.530134 -0.752921 0.000106
C 0.572571 -0.157766 0.000071
C 2.028360 -0.119065 0.000026
C -2.703351 1.454836 0.000153
C -2.762445 -1.447551 0.000103
C -3.919716 0.739644 0.000144
C -3.949038 -0.687619 0.000120
C 2.884471 -1.212983 -0.000052
C 3.974662 1.032545 -0.000111
H 0.268978 1.958294 0.000168
H -2.691333 2.549632 0.000182
H -2.777792 -2.541525 0.000080
H -4.865860 1.292064 0.000159
H -4.918033 -1.198504 0.000117
H 2.613316 -2.265430 -0.000051
H 4.675402 1.866322 -0.000136


