%chk=000055141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055141

0 1
 O   -2.317900     -0.8111000      0.3171000    
 O  -0.8469000       2.925700     -0.3439000    
 N   -4.497700     -1.6799999E-02  0.2730000    
 C  -0.3907000      0.6344000      8.8999998E-03
 C  -0.9629000     -0.6156000      0.2330000    
 C   -3.167600      0.2798000      0.1730000    
 C    1.810100     -0.3489000      8.3099999E-02
 C   0.9969000      0.7749000     -6.7100003E-02
 C   -4.971100      -1.394200      0.2612000    
 C   -1.275200       1.797500     -0.1450000    
 C   -2.722600       1.528200     -4.5899998E-02
 C  -0.1471000      -1.737500      0.3830000    
 C    1.239600      -1.602500      0.3079000    
 C    3.249000     -0.2153000      4.9000001E-03
 C   -5.516200       1.016400      0.1460000    
 C   -5.045400      -1.908600      -1.163700    
 C    3.989100      4.0800001E-02   1.159200    
 C    3.895500     -0.3432000      -1.224400    
 C    5.376000      0.1693000       1.084100    
 C    5.282500     -0.2147000      -1.299300    
 C    6.022600      4.1499998E-02 -0.1451000    
 H    1.442800       1.751400     -0.2423000    
 H   -4.326800      -2.045600      0.8642000    
 H   -5.963200      -1.463700      0.7238000    
 H   -3.369600       2.389600     -0.1633000    
 H  -0.5831000      -2.717300      0.5581000    
 H    1.862300      -2.486300      0.4266000    
 H   -5.513300       1.446000     -0.8620000    
 H   -5.364400       1.814200      0.8818000    
 H   -6.522300      0.6199000      0.3240000    
 H   -5.717600      -1.294800      -1.772500    
 H   -4.062400      -1.906000      -1.645600    
 H   -5.422600      -2.936100      -1.175400    
 H    3.500800      0.1433000       2.125500    
 H    3.333600     -0.5429000      -2.133800    
 H    5.952500      0.3688000       1.982600    
 H    5.786300     -0.3142000      -2.256300    
 H    7.102500      0.1416000     -0.2035000    


%chk=000055141-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055141

0 1
O -2.382368 -0.707513 0.328629
O -0.779382 2.947598 -0.966128
N -4.548478 0.051243 0.128929
C -0.403636 0.680501 -0.187849
C -0.979200 -0.535881 0.246426
C -3.215898 0.366748 -0.018707
C 1.838003 -0.313699 0.113712
C 1.005799 0.773168 -0.244082
C -5.002745 -1.303966 0.523879
C -1.276881 1.837115 -0.568514
C -2.701450 1.588016 -0.451024
C -0.187597 -1.642074 0.612865
C 1.211726 -1.524073 0.542265
C 3.324060 -0.204229 0.045069
C -5.551407 1.049830 -0.273700
C -5.268079 -2.229757 -0.683994
C 4.155257 -0.909226 0.959204
C 3.949869 0.613444 -0.936566
C 5.560946 -0.803205 0.893630
C 5.354945 0.722219 -1.001822
C 6.169089 0.013221 -0.087941
H 1.419521 1.738703 -0.554741
H -4.237809 -1.751130 1.177592
H -5.923605 -1.182436 1.124352
H -3.374205 2.404293 -0.717063
H -0.667529 -2.571834 0.931946
H 1.830191 -2.392000 0.794740
H -5.451647 1.324178 -1.342038
H -5.459984 1.972252 0.330727
H -6.556417 0.629036 -0.114874
H -6.033296 -1.804603 -1.358654
H -4.341854 -2.384986 -1.263460
H -5.628578 -3.215465 -0.336612
H 3.699186 -1.518537 1.747959
H 3.333286 1.147942 -1.667896
H 6.180885 -1.348101 1.614558
H 5.814492 1.353895 -1.770213
H 7.260292 0.097314 -0.138707


