%chk=000046390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046390

0 1
 O    1.608200       1.234700      0.4953000    
 O   -4.389900       2.050500      0.1253000    
 O   -2.302900       2.428700     -0.6920000    
 N  -0.5651000      0.5120000      0.3217000    
 N    1.307900     -0.8792000     -0.2654000    
 C   -1.706500     -0.3299000      0.2006000    
 C    2.839100      0.6981000      0.2464000    
 C    2.651400     -0.5952000     -0.2186000    
 C   0.7487000      0.2307000      0.1643000    
 C   -2.955900      0.2108000     -7.7000000E-02
 C   -1.545600      -1.700500      0.3645000    
 C    4.076500       1.306700      0.4164000    
 C    3.775200      -1.366400     -0.5484000    
 C   -4.061600     -0.6318000     -0.1925000    
 C   -2.651300      -2.543100      0.2488000    
 C    5.187000      0.5238000      8.2900003E-02
 C    5.042100     -0.7863000     -0.3900000    
 C   -3.909200      -2.008700     -2.9600000E-02
 C   -3.148000       1.645000     -0.2527000    
 H  -0.8033000       1.473400      0.5504000    
 H  -0.5918000      -2.154200      0.6117000    
 H    4.177900       2.320500      0.7830000    
 H    3.674500      -2.382400     -0.9156000    
 H   -5.052600     -0.2490000     -0.4217000    
 H   -2.534400      -3.614700      0.3818000    
 H    6.184600      0.9422000      0.1935000    
 H    5.927900      -1.365200     -0.6393000    
 H   -4.769500      -2.665200     -0.1210000    
 H   -4.511700       3.016200      3.3000000E-03


%chk=000046390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046390

0 1
O 1.599631 1.341404 0.086355
O -4.566492 2.072998 0.146451
O -2.307506 2.555311 0.161177
N -0.598744 0.536979 0.052878
N 1.345211 -0.975872 -0.036726
C -1.699518 -0.335124 0.015166
C 2.894395 0.757798 0.048522
C 2.731308 -0.655276 -0.026068
C 0.728473 0.200798 0.029479
C -3.029508 0.222249 0.048792
C -1.541138 -1.748018 -0.054298
C 4.132500 1.403616 0.076911
C 3.868293 -1.485946 -0.076020
C -4.153195 -0.649729 0.011885
C -2.673350 -2.580269 -0.089615
C 5.268749 0.555893 0.026041
C 5.136415 -0.857975 -0.048949
C -3.985951 -2.041319 -0.057206
C -3.228240 1.677541 0.121444
H -0.844492 1.547929 0.104254
H -0.529604 -2.160439 -0.079857
H 4.221709 2.491450 0.134454
H 3.766608 -2.573271 -0.133454
H -5.151470 -0.204938 0.038534
H -2.531213 -3.665444 -0.143840
H 6.268276 1.002725 0.044897
H 6.040256 -1.475499 -0.086506
H -4.857924 -2.701839 -0.084833
H -4.601779 3.065767 0.196231


