%chk=000002960.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002960

0 1
 O   -4.329300      0.5894000      0.2081000    
 O    1.446700      -2.072300      0.3714000    
 N   -2.596500       2.023900      0.2970000    
 N   -2.729100      -1.673200      1.3000000E-02
 N    2.542900       1.129600     -0.2123000    
 N    3.448900     -0.8444000      0.3226000    
 N    4.870300       1.084400      5.5199999E-02
 C   0.1572000      0.4946000     -0.3361000    
 C  -0.3482000       1.862300     -0.7108000    
 C  -0.8370000     -0.5365000     -0.2189000    
 C   -1.213500       2.445400      0.3919000    
 C   -2.207400     -0.3885000     -6.0999999E-03
 C    1.474000      0.2952000     -0.1468000    
 C   -3.104600      0.7449000      0.1703000    
 C  -0.5682000      -1.937900     -0.3135000    
 C   -1.754600      -2.608500     -0.1651000    
 C    2.068800      -1.034800      0.2119000    
 C    3.679600      0.4264000      6.8300001E-02
 H   0.4816000       2.555600     -0.8861000    
 H  -0.8933000       1.815700      -1.663000    
 H  -0.8468000       2.191700       1.393100    
 H   -1.224900       3.538000      0.3091000    
 H   -3.288900       2.756000      0.4244000    
 H   0.1639000      -2.436700     -0.9420000    
 H   -3.711800      -1.882500      0.1197000    
 H   -2.009900      -3.651000     -0.2928000    
 H    2.480000       2.113200     -0.4296000    
 H    5.740400      0.6042000      0.2570000    
 H    4.924100       2.074600     -0.1574000    


%chk=000002960-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002960

0 1
O -4.424213 0.660885 -0.607151
O 2.057432 -2.321042 0.416613
N -2.704406 2.069797 0.063274
N -2.943463 -1.563633 -0.236255
N 2.552389 1.126807 -0.275500
N 3.806320 -0.757396 0.103722
N 4.963112 1.280448 -0.365709
C 0.202206 0.377497 -0.089844
C -0.201637 1.854291 -0.223972
C -0.878799 -0.611511 -0.056460
C -1.388807 2.306580 0.666707
C -2.287843 -0.338247 -0.179734
C 1.568296 0.103037 -0.079371
C -3.197835 0.823208 -0.267583
C -0.759230 -2.055641 -0.019902
C -2.037846 -2.604241 -0.135373
C 2.437558 -1.142728 0.164719
C 3.818869 0.551823 -0.177173
H 0.647458 2.498230 0.066828
H -0.454024 2.094570 -1.277095
H -1.313044 1.813901 1.657096
H -1.305777 3.395207 0.832441
H -3.382418 2.832476 0.009275
H 0.179322 -2.593848 0.094452
H -3.958304 -1.595143 -0.366159
H -2.353095 -3.644976 -0.145906
H 2.361293 2.049905 -0.657072
H 5.845658 0.779601 -0.292823
H 4.965227 2.288945 -0.489546


