%chk=000057074.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057074

0 1
 O    2.867200      -1.898200     -0.8119000    
 O    3.110300       2.259200     -0.7424000    
 N  -0.9604000       1.074500     -0.5222000    
 C   -3.639300      0.5404000      0.5416000    
 C   -3.382000       1.585700     -0.5550000    
 C   -2.537300     -0.5302000      0.5104000    
 C   -1.961300       2.148100     -0.4581000    
 C   -1.146800      0.1078000      0.5686000    
 C   0.3913000       1.632800     -0.4851000    
 C    1.440200      0.5224000     -0.5283000    
 C   -5.028500     -6.0500000E-02  0.4479000    
 C    1.265900     -0.3382000      -1.780400    
 C    2.850400       1.092100     -0.4648000    
 C    2.433200      -1.286500      -2.026900    
 C    3.941800      0.1777000     -2.8999999E-02
 C   -6.089100      0.5311000       1.131300    
 C   -5.241200      -1.202800     -0.3218000    
 C    3.878500      -1.215500     -0.1843000    
 C    5.054300      0.7525000      0.6016000    
 C   -7.367000     -2.1400001E-02   1.045000    
 C   -6.519200      -1.755200     -0.4082000    
 C    4.896000      -2.018800      0.3432000    
 C   -7.582000      -1.164400      0.2754000    
 C    6.077200     -5.5700000E-02   1.099300    
 C    5.994200      -1.440300      0.9779000    
 C    7.253600      0.5634000       1.776200    
 H   -3.561600       1.044800       1.516000    
 H   -4.104000       2.407300     -0.4715000    
 H   -3.531700       1.138400      -1.547000    
 H   -2.569700      -1.126200     -0.4086000    
 H   -2.658200      -1.225800       1.350200    
 H   -1.813500       2.843300      -1.293500    
 H   -1.857600       2.726600      0.4694000    
 H  -0.9982000      0.5838000       1.546700    
 H  -0.4626000     -0.7418000      0.5077000    
 H   0.5318000       2.303400      -1.343300    
 H   0.5407000       2.242700      0.4166000    
 H    1.368000     -8.8699996E-02  0.3784000    
 H    1.129900      0.2837000      -2.673900    
 H   0.3588000     -0.9461000      -1.681600    
 H    2.106600      -2.089300      -2.698000    
 H    3.261300     -0.7830000      -2.544700    
 H   -5.935200       1.423300       1.732300    
 H   -4.456400      -1.681900     -0.8952000    
 H    5.119700       1.830700      0.7311000    
 H   -8.194900      0.4391000       1.576300    
 H   -6.688900      -2.641300      -1.013000    
 H    4.847000      -3.100600      0.2460000    
 H   -8.577300      -1.593600      0.2067000    
 H    6.779000      -2.080700       1.371500    
 H    7.043600      0.7035000       2.841200    
 H    8.145400     -6.4499997E-02   1.674900    
 H    7.495400       1.535900       1.333800    


%chk=000057074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057074

0 1
O 3.045025 -2.011084 -0.823865
O 3.084771 2.265556 -0.700349
N -0.950224 0.949212 -0.347202
C -3.776726 0.611867 0.514544
C -3.367738 1.479486 -0.707446
C -2.694529 -0.482735 0.728829
C -1.942792 2.038834 -0.538031
C -1.287660 0.135327 0.848691
C 0.432105 1.487272 -0.306691
C 1.514756 0.396964 -0.467919
C -5.178966 0.024036 0.380560
C 1.272097 -0.472028 -1.736445
C 2.918009 1.028745 -0.474688
C 2.464925 -1.384702 -2.047552
C 4.072626 0.150336 -0.090765
C -6.183528 0.319482 1.337199
C -5.513575 -0.839398 -0.697211
C 4.051298 -1.273874 -0.173117
C 5.214199 0.775541 0.490222
C -7.482650 -0.227821 1.226511
C -6.809081 -1.388508 -0.813142
C 5.105583 -2.032719 0.387960
C -7.800955 -1.085348 0.149184
C 6.280444 0.037542 1.038974
C 6.194577 -1.384529 0.996337
C 7.477295 0.722890 1.675099
H -3.764637 1.270565 1.409321
H -4.082340 2.314750 -0.836139
H -3.403946 0.864879 -1.627116
H -2.707625 -1.185143 -0.126690
H -2.922061 -1.066773 1.640999
H -1.655596 2.616275 -1.436538
H -1.929179 2.750559 0.330925
H -1.234310 0.759382 1.781492
H -0.542881 -0.674080 0.957781
H 0.546940 2.213347 -1.131735
H 0.629159 2.054530 0.638520
H 1.492764 -0.298312 0.394879
H 1.091658 0.187961 -2.607881
H 0.347964 -1.052938 -1.577746
H 2.165758 -2.242162 -2.672941
H 3.273550 -0.824961 -2.557869
H -5.943917 0.984667 2.176640
H -4.757059 -1.085598 -1.452616
H 5.218033 1.871234 0.519460
H -8.243135 0.014564 1.977825
H -7.046923 -2.052415 -1.652419
H 5.059379 -3.123199 0.309482
H -8.806636 -1.511341 0.059663
H 7.005111 -1.986301 1.425923
H 7.541830 0.499739 2.757097
H 8.425459 0.384784 1.216630
H 7.420753 1.818648 1.561865


