%chk=000068496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068496

0 1
 O  -0.7021000       1.954500      0.2204000    
 N   0.1804000     -0.2032000     -4.5699999E-02
 C    1.578400      2.2700001E-02 -1.4700000E-02
 C    3.817000     -0.8297000     -0.1152000    
 C    2.440500      -1.052500     -0.1461000    
 C    2.050900       1.313800      0.1466000    
 C   -2.207000      0.1913000      2.6300000E-02
 C    4.310600      0.4650000      4.6599999E-02
 C  -0.8577000      0.7320000      6.8300001E-02
 C    3.427600       1.536700      0.1774000    
 C    4.761600      -1.975100     -0.2556000    
 C   -3.262200      0.9833000     -0.4264000    
 C   -2.446000      -1.119400      0.4390000    
 C   -4.556500      0.4646000     -0.4663000    
 C   -3.740200      -1.638200      0.3990000    
 C   -4.795400     -0.8461000     -5.3599998E-02
 H    2.054700      -2.061200     -0.2701000    
 H  -6.6399999E-02  -1.175400     -0.2096000    
 H    1.434600       2.193600      0.2543000    
 H    5.380900      0.6514000      7.4000001E-02
 H    3.813200       2.544400      0.3036000    
 H    5.706000      -1.656800     -0.7102000    
 H    4.974700      -2.408800      0.7265000    
 H    4.342800      -2.754700     -0.9010000    
 H   -3.097000       2.005500     -0.7573000    
 H   -1.664900      -1.761300      0.8356000    
 H   -5.378100       1.080900     -0.8194000    
 H   -3.928500      -2.655800      0.7286000    
 H   -5.803400      -1.249400     -8.2900003E-02


%chk=000068496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068496

0 1
O -0.718353 2.028840 0.100964
N 0.193181 -0.130713 -0.068287
C 1.591998 0.131655 -0.013309
C 3.865956 -0.833107 -0.110559
C 2.463208 -0.983970 -0.158503
C 2.133602 1.429078 0.179574
C -2.242417 0.141828 -0.000855
C 4.399509 0.468846 0.085284
C -0.869744 0.769925 0.022241
C 3.537001 1.576262 0.227622
C 4.786041 -2.033857 -0.253628
C -3.324255 0.962601 -0.411312
C -2.502816 -1.195413 0.401970
C -4.637190 0.450299 -0.446845
C -3.819213 -1.706171 0.371370
C -4.888500 -0.887746 -0.060157
H 2.037761 -1.986145 -0.310260
H -0.057777 -1.107609 -0.234435
H 1.463314 2.283723 0.279782
H 5.486461 0.608668 0.123277
H 3.958841 2.576871 0.375477
H 5.549344 -1.862693 -1.034943
H 5.327027 -2.236142 0.690327
H 4.227661 -2.947556 -0.521271
H -3.108226 1.999513 -0.688355
H -1.699050 -1.835735 0.787229
H -5.463928 1.091226 -0.771802
H -4.011915 -2.734799 0.695253
H -5.909022 -1.285582 -0.083748


