%chk=000084568.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084568

0 1
 S    3.318600       1.663500       0.000000    
 N    4.067100     -0.7963000      1.9999999E-04
 C  -0.1764000     -0.5624000       0.000000    
 C   0.6444000      0.5970000       0.000000    
 C   -1.607800     -0.4018000     -9.9999997E-05
 C   -2.160500      0.9067000       0.000000    
 C    2.066800      0.4594000     -9.9999997E-05
 C   6.3299999E-02   1.877100      9.9999997E-05
 C   0.4729000      -1.814200       0.000000    
 C    2.679900     -0.7979000      9.9999997E-05
 C   -1.319500       2.022700      9.9999997E-05
 C    1.866700      -1.943600      1.9999999E-04
 C   -2.530100      -1.479000     -9.9999997E-05
 C   -3.553100       1.095500      9.9999997E-05
 C   -3.913100      -1.276700       0.000000    
 C   -4.424700      1.1200000E-02 -1.9999999E-04
 C    4.505400      0.4385000     -3.9999999E-04
 H   0.6678000       2.780200      1.9999999E-04
 H  -9.5100001E-02  -2.741400       0.000000    
 H   -1.733600       3.029500      1.9999999E-04
 H    2.314700      -2.933800      3.0000001E-04
 H   -2.189300      -2.511200       0.000000    
 H   -3.975300       2.099000      1.9999999E-04
 H   -4.585100      -2.129900      9.9999997E-05
 H   -5.498100      0.1737000     -9.9999997E-05
 H    5.561200      0.6723000     -6.0000003E-04


%chk=000084568-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084568

0 1
S 3.355640 1.747090 -0.000019
N 4.091514 -0.842764 -0.000084
C -0.164405 -0.542744 0.000007
C 0.661883 0.643285 -0.000003
C -1.621898 -0.387669 0.000042
C -2.192970 0.939304 0.000035
C 2.074273 0.460512 -0.000001
C 0.050661 1.952417 -0.000014
C 0.466716 -1.834310 -0.000007
C 2.679150 -0.827143 -0.000056
C -1.322311 2.093233 0.000004
C 1.852784 -1.986498 -0.000058
C -2.519378 -1.501555 0.000061
C -3.613493 1.102397 0.000042
C -3.908419 -1.319478 0.000080
C -4.465503 -0.006898 0.000093
C 4.579803 0.379272 -0.000030
H 0.701416 2.834688 -0.000035
H -0.153218 -2.734684 0.000001
H -1.779708 3.089657 -0.000001
H 2.325374 -2.972862 -0.000081
H -2.125551 -2.522194 0.000043
H -4.024023 2.119367 0.000032
H -4.571864 -2.191514 0.000079
H -5.552686 0.127055 0.000092
H 5.643312 0.620134 -0.000021


