%chk=000089104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089104

0 1
 S    3.042700      -1.514500     -1.9999999E-04
 N    3.706300      0.9696000     -3.0000001E-04
 C  -0.5267000      0.5901000       0.000000    
 C   0.3335000     -0.5405000       0.000000    
 C   -1.951700      0.3804000      9.9999997E-05
 C    1.750300     -0.3541000       0.000000    
 C   -2.459100     -0.9463000       0.000000    
 C    2.319800      0.9235000     -9.9999997E-05
 C  -0.2033000      -1.839700     -1.9999999E-04
 C   7.9200000E-02   1.863400       0.000000    
 C   -1.580300      -2.032800     -9.9999997E-05
 C    1.467800       2.040700     -1.9999999E-04
 C   -2.910500       1.425300      9.9999997E-05
 C   -3.844500      -1.182800     -9.9999997E-05
 C    4.186800     -0.2494000      3.0000001E-04
 C   -4.285700       1.175600      9.9999997E-05
 C   -4.752800     -0.1291000      1.9999999E-04
 C    5.628400     -0.5794000      5.0000002E-04
 H   0.4318000      -2.721600     -3.0000001E-04
 H  -0.5203000       2.770600      9.9999997E-05
 H   -1.959600      -3.053200     -3.0000001E-04
 H    1.881400       3.045600     -3.0000001E-04
 H   -2.605300       2.468500      9.9999997E-05
 H   -4.231900      -2.200200     -1.9999999E-04
 H   -4.986700       2.005300      9.9999997E-05
 H   -5.820000     -0.3284000      1.9999999E-04
 H    6.231800      0.3344000      8.9999998E-04
 H    5.899600      -1.157500      0.8898000    
 H    5.900100      -1.156800     -0.8892000    


%chk=000089104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089104

0 1
S 3.049417 -1.638811 -0.000456
N 3.718332 0.970608 -0.000078
C -0.526987 0.560797 0.000009
C 0.331777 -0.601827 -0.000038
C -1.979080 0.365074 0.000014
C 1.740015 -0.385581 -0.000086
C -2.513032 -0.976115 -0.000015
C 2.309235 0.916132 -0.000113
C -0.243085 -1.926685 -0.000100
C 0.070185 1.866179 -0.000006
C -1.612356 -2.105439 -0.000072
C 1.453598 2.052076 -0.000068
C -2.907889 1.452679 0.000045
C -3.927947 -1.179735 -0.000005
C 4.270767 -0.221219 0.000176
C -4.291590 1.231726 0.000060
C -4.811218 -0.094916 0.000033
C 5.739682 -0.515839 0.000427
H 0.430353 -2.791327 -0.000168
H -0.569661 2.752438 0.000018
H -2.040809 -3.114403 -0.000110
H 1.898753 3.050848 -0.000064
H -2.544250 2.484345 0.000064
H -4.311438 -2.206941 -0.000031
H -4.978956 2.084754 0.000088
H -5.894030 -0.259241 0.000040
H 6.293792 0.436067 0.001006
H 6.033546 -1.099904 0.891468
H 6.033977 -1.099039 -0.891039


