%chk=000049798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049798

0 1
 O   -3.913500       1.929600      1.2300000E-02
 O    2.267100       2.797500     -0.2979000    
 N   0.5147000       1.996400      0.9983000    
 C   -1.143900      -2.948100     -0.1966000    
 C   -2.164600      -3.713000      0.6594000    
 C   -3.512000      -2.995400      0.4882000    
 C   -1.717200      -1.566600     -0.1654000    
 C   -3.061700      -1.593500      0.2233000    
 C   -1.095200     -0.3769000     -0.5040000    
 C   -1.840600      0.8021000     -0.4361000    
 C   -3.811800     -0.4312000      0.2815000    
 C   -3.189100      0.7751000     -4.6000000E-02
 C   -1.182900       2.095800     -0.7916000    
 C  -0.5239000       2.793900      0.4029000    
 C    1.843300       2.065300      0.5927000    
 C    2.723200       1.122700       1.391200    
 C   -4.604200       2.319700      -1.172100    
 C    3.424400      9.6900001E-02  0.5407000    
 C    2.809000      -1.122500      0.2944000    
 C    4.676300      0.3851000      1.5699999E-02
 C    3.458900      -2.073000     -0.4930000    
 C    5.326100     -0.5654000     -0.7718000    
 C    4.717400      -1.794400      -1.026200    
 H  -0.1425000      -2.998100      0.2392000    
 H   -1.126500      -3.325900      -1.224000    
 H   -2.219700      -4.773800      0.3956000    
 H   -1.860700      -3.658300       1.714300    
 H   -4.060700      -3.384600     -0.3755000    
 H   -4.124400      -3.076200       1.390500    
 H  -5.8100000E-02 -0.3714000     -0.8223000    
 H   -4.856700     -0.4586000      0.5733000    
 H  -0.4257000       1.911100      -1.566100    
 H   -1.892500       2.786900      -1.257800    
 H   -1.262000       2.999900       1.185700    
 H  -0.1001000       3.751000      7.9300001E-02
 H   0.2469000       1.356600       1.740100    
 H    2.153500      0.6141000       2.178500    
 H    3.460000       1.738100       1.923500    
 H   -5.526200       1.737800      -1.267200    
 H   -3.990500       2.182700      -2.068200    
 H   -4.866200       3.377600      -1.084200    
 H    1.831400      -1.349800      0.7089000    
 H    5.158500       1.339700      0.2063000    
 H    2.984800      -3.030000     -0.6904000    
 H    6.305800     -0.3484000      -1.187400    
 H    5.223300      -2.534300      -1.639300    


%chk=000049798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049798

0 1
O -3.433433 2.066968 -0.509266
O 2.477253 3.517845 0.287440
N 0.646989 2.209822 0.905454
C -0.759702 -3.005599 -0.656223
C -1.821832 -3.812729 0.156208
C -3.163231 -3.037962 -0.045818
C -1.326509 -1.591477 -0.648592
C -2.697669 -1.608600 -0.298597
C -0.692784 -0.369362 -0.956747
C -1.411236 0.850940 -0.912302
C -3.444986 -0.413655 -0.249262
C -2.792392 0.808515 -0.548576
C -0.734795 2.180515 -1.199938
C -0.336412 2.946534 0.096120
C 1.995200 2.518127 0.904843
C 2.883476 1.534727 1.694937
C -4.864678 2.089971 -0.208482
C 3.121772 0.232639 0.931338
C 2.829957 -1.023478 1.519353
C 3.647147 0.263184 -0.388004
C 3.057878 -2.225943 0.809420
C 3.872640 -0.935478 -1.099207
C 3.580034 -2.185936 -0.503227
H 0.253464 -3.067153 -0.219539
H -0.687288 -3.388360 -1.695250
H -1.888643 -4.869344 -0.157012
H -1.550720 -3.795263 1.228710
H -3.709947 -3.425219 -0.930409
H -3.843996 -3.130878 0.820214
H 0.368629 -0.347449 -1.234487
H -4.505128 -0.438098 0.022540
H 0.176627 2.017973 -1.803838
H -1.415224 2.835233 -1.774410
H -1.241351 3.141306 0.699027
H 0.130194 3.910495 -0.168591
H 0.345745 1.333663 1.338476
H 2.432528 1.316860 2.681032
H 3.838597 2.060216 1.868579
H -5.071606 1.696683 0.806333
H -5.442834 1.508957 -0.953462
H -5.153803 3.150306 -0.259663
H 2.430714 -1.063160 2.540843
H 3.875907 1.231014 -0.850407
H 2.835534 -3.189242 1.283207
H 4.280817 -0.896238 -2.115644
H 3.760593 -3.115670 -1.054422


