%chk=000002017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002017

0 1
 O    4.256400     -0.4357000      0.3285000    
 N  -0.9080000       1.513500      2.2500001E-02
 N  -0.3039000      -2.632900      0.1203000    
 N   -5.668300      0.9154000     -0.2178000    
 C   0.5917000     -0.3647000      0.1323000    
 C   -1.808800     -0.7175000      1.1300000E-02
 C  -0.5086000      -1.227000      8.8299997E-02
 C   0.3422000       1.017600      9.6600004E-02
 C   -1.964400      0.6786000     -1.9500000E-02
 C    1.909100     -0.8490000      0.2098000    
 C   -2.932800      -1.560700     -3.4100000E-02
 C    1.433600       1.881100      0.1401000    
 C    2.982800      3.5399999E-02  0.2521000    
 C   -3.256400       1.191800     -9.5899999E-02
 C    2.744100       1.403200      0.2173000    
 C   -4.375500      0.3568000     -0.1413000    
 C   -4.213800      -1.022400     -0.1103000    
 C    5.281100      0.3609000     -0.2652000    
 C    6.399600     -0.5445000     -0.7349000    
 H    2.148200      -1.907000      0.2397000    
 H   -2.866600      -2.643100     -1.2900000E-02
 H    1.271600       2.957400      0.1201000    
 H   -3.395800       2.272100     -0.1207000    
 H    3.544000       2.135400      0.2755000    
 H   -5.073400      -1.686200     -0.1446000    
 H   0.6193000      -3.033700      0.1783000    
 H   -1.075400      -3.281600      9.2799999E-02
 H    4.914100      0.9117000      -1.140400    
 H    5.663800       1.067700      0.4792000    
 H   -5.785500       1.919600     -0.2415000    
 H   -6.479100      0.3121000     -0.2518000    
 H    7.209300      3.5300002E-02  -1.187100    
 H    6.804700      -1.122700      0.1021000    
 H    6.028600      -1.266500      -1.470000    


%chk=000002017-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002017

0 1
O 4.279366 -0.544378 -0.201396
N -0.964270 1.536780 -0.065112
N -0.356975 -2.710580 -0.047060
N -5.775435 0.972949 0.086732
C 0.569116 -0.442426 -0.095209
C -1.878098 -0.783497 -0.018461
C -0.558664 -1.339246 -0.053318
C 0.293609 0.986974 -0.098685
C -2.027540 0.669494 -0.025998
C 1.926575 -0.892747 -0.132053
C -3.072574 -1.581854 0.024700
C 1.412781 1.886681 -0.139905
C 2.987192 0.016833 -0.170095
C -3.342617 1.235850 0.009582
C 2.727546 1.429199 -0.174821
C -4.489567 0.430486 0.051566
C -4.336179 -1.007176 0.058632
C 5.434144 0.373025 -0.246974
C 6.686207 -0.500249 -0.269582
H 2.193379 -1.955637 -0.133257
H -3.014405 -2.677707 0.031858
H 1.183805 2.956737 -0.142701
H -3.409209 2.328912 0.002730
H 3.549389 2.150510 -0.206050
H -5.230234 -1.642093 0.091222
H 0.579907 -3.099513 -0.066023
H -1.137304 -3.358080 -0.017978
H 5.371413 1.006251 -1.155863
H 5.422487 1.031364 0.645950
H -5.912669 1.979279 0.083244
H -6.594560 0.373872 0.117647
H 7.591775 0.132703 -0.298092
H 6.731268 -1.136596 0.630783
H 6.688239 -1.155718 -1.157214


