%chk=000052210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052210

0 1
 S    4.509100      5.8100000E-02   1.135600    
 N    1.440400       1.083700     -0.2773000    
 N    1.465900      -1.138600     -0.2632000    
 C   0.1292000      0.7035000     -0.1484000    
 C   0.1714000     -0.6879000     -0.1420000    
 C   -2.238900      0.7012000      7.9200000E-02
 C   -2.228600     -0.6955000      8.8900000E-02
 C   -1.054000       1.434900     -4.0100001E-02
 C   -1.028400      -1.408900     -2.1199999E-02
 C    2.199700     -5.1300000E-02 -0.3419000    
 C   -3.527700       1.451200      0.1961000    
 C   -3.504100      -1.465200      0.2179000    
 C    3.666000      1.4900000E-02 -0.4836000    
 H   -1.043500       2.519400     -4.9500000E-02
 H   -1.011900      -2.494400     -1.4500000E-02
 H    1.781600       2.035200     -0.3165000    
 H   -4.025600       1.218300       1.142900    
 H   -3.369700       2.535300      0.1738000    
 H   -4.193900       1.206200     -0.6374000    
 H   -3.328300      -2.546600      0.2085000    
 H   -4.003800      -1.228900       1.163000    
 H   -4.176200      -1.241700     -0.6170000    
 H    4.027300     -0.8638000      -1.027500    
 H    3.968700      0.8991000      -1.054100    
 H    3.998500       1.228800       1.545300    


%chk=000052210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052210

0 1
S 4.664836 0.298766 1.190583
N 1.476983 1.101461 -0.215768
N 1.480768 -1.180494 -0.292534
C 0.131205 0.720159 -0.105405
C 0.153456 -0.712673 -0.158984
C -2.279984 0.717410 0.104772
C -2.275679 -0.725280 0.051136
C -1.070115 1.443984 0.025429
C -1.060618 -1.430642 -0.081015
C 2.244693 -0.073201 -0.321824
C -3.594052 1.465696 0.248156
C -3.585548 -1.490774 0.138896
C 3.728517 -0.068789 -0.446031
H -1.085375 2.538830 0.066270
H -1.049022 -2.524563 -0.121253
H 1.835441 2.054550 -0.210414
H -4.124337 1.183086 1.178112
H -3.434913 2.557356 0.270842
H -4.283618 1.242660 -0.588834
H -3.413257 -2.578384 0.076316
H -4.116387 -1.288846 1.089611
H -4.279764 -1.212384 -0.677644
H 4.061658 -1.080249 -0.717525
H 4.096178 0.648637 -1.197363
H 4.402137 1.660683 1.211471


