%chk=000049119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049119

0 1
 O  -0.8301000      0.2792000     -0.6884000    
 O   -1.609500       1.230200       1.273100    
 N   -3.071400      6.2899999E-02 -0.1090000    
 N   0.9481000      -1.268100      0.8311000    
 N   0.8886000      -3.574400      0.4753000    
 N    1.824100      -2.294700      -1.166300    
 C   0.4352000      0.7804000     -0.3655000    
 C    1.298500      1.0400000E-02  0.3810000    
 C   0.7646000       2.039800     -0.8162000    
 C    2.556500      0.5259000      0.6937000    
 C    2.022500       2.555500     -0.5034000    
 C   -1.821900      0.5809000      0.2495000    
 C    2.918500       1.798600      0.2518000    
 C   -4.226700      0.2782000      0.7503000    
 C   -3.313300     -0.7029000      -1.327400    
 C    1.216300      -2.302000      7.0500001E-02
 H   6.7900002E-02   2.628800      -1.404600    
 H    3.261900     -5.5500001E-02   1.281800    
 H    2.304200       3.546200     -0.8479000    
 H    3.897800       2.200000      0.4954000    
 H   -4.990300      0.8198000      0.1845000    
 H   -3.966400      0.8568000       1.640200    
 H   -4.620600     -0.6939000       1.060700    
 H   -4.061600     -0.1765000      -1.927300    
 H   -3.697700      -1.688600      -1.049100    
 H   -2.410500     -0.8342000      -1.926800    
 H   0.4338000      -3.739600       1.366600    
 H    1.089500      -4.383000     -0.1029000    
 H    1.985400      -3.157500      -1.674700    
 H    2.129700      -1.436900      -1.612400    


%chk=000049119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049119

0 1
O -0.664228 0.223266 -0.453674
O -1.889784 1.896425 0.699833
N -2.942913 -0.016122 -0.159462
N 1.436731 -1.400287 0.665873
N 1.052051 -3.664073 0.262510
N 0.597396 -2.171896 -1.487600
C 0.602275 0.828632 -0.154708
C 1.620685 -0.041133 0.346123
C 0.831560 2.198944 -0.390378
C 2.888795 0.552127 0.619362
C 2.103329 2.749192 -0.125072
C -1.858440 0.796926 0.095778
C 3.131227 1.919083 0.384455
C -4.275645 0.447964 0.258050
C -2.872819 -1.338937 -0.796585
C 1.029257 -2.332828 -0.164991
H 0.013626 2.824318 -0.756320
H 3.668341 -0.098937 1.027936
H 2.283296 3.814502 -0.302586
H 4.119391 2.339105 0.603238
H -4.956428 0.500349 -0.613495
H -4.181826 1.447204 0.707996
H -4.710638 -0.244117 1.004735
H -3.378832 -1.325464 -1.782772
H -3.383369 -2.085804 -0.157454
H -1.826903 -1.642733 -0.934259
H 1.425306 -3.822399 1.196290
H 0.388524 -4.334944 -0.118633
H 0.780582 -2.901991 -2.173366
H 0.392553 -1.230572 -1.817223


