%chk=000028239.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028239

0 1
 O    2.603400     -0.8878000     -0.3520000    
 O   -2.503500     -9.7199999E-02  -1.997000    
 N    6.252700     -0.9930000      0.1116000    
 N   -2.816700     -0.4386000      0.3031000    
 N    1.863400       1.297200     -0.1064000    
 C    4.906900      -1.494000     -0.1242000    
 C    6.334300     -0.3168000       1.408600    
 C    7.229900      -2.082600      4.7499999E-02
 C    3.898800     -0.3562000     -0.1008000    
 C  -0.7491000      0.4629000     -0.5758000    
 C  -0.4794000       1.815800     -0.3293000    
 C    7.716900      0.2704000       1.635600    
 C    7.164900      -2.800400      -1.289900    
 C    1.560700      1.1000000E-03 -0.3483000    
 C   0.8594000       2.194400     -9.6500002E-02
 C   0.2833000     -0.4639000     -0.5867000    
 C   -4.123400     -0.9819000      0.3653000    
 C   -2.096900     -3.7799999E-02 -0.8281000    
 C   -4.292700      -2.356000      0.2932000    
 C   -5.208900     -0.1298000      0.4981000    
 C   -1.502500       2.778900     -0.3114000    
 C    1.126800       3.538400      0.1484000    
 C   -5.579500      -2.891100      0.3555000    
 C   -6.495500     -0.6649000      0.5604000    
 C   -1.206700       4.116300     -6.4000003E-02
 C   0.1098000       4.496100      0.1662000    
 C   -3.133000      -3.287700      0.1500000    
 C   -5.042600       1.353300      0.5779000    
 C   -6.680800      -2.045400      0.4891000    
 H    4.808800      -1.959700      -1.111100    
 H    4.618900      -2.260800      0.6076000    
 H    6.068700     -0.9830000       2.238800    
 H    5.668900      0.5492000       1.449300    
 H    8.249500      -1.690800      0.1235000    
 H    7.090100      -2.806200      0.8605000    
 H    3.853800      0.1191000      0.8830000    
 H    4.153600      0.3888000     -0.8655000    
 H    8.461000     -0.4935000       1.881000    
 H    8.064400      0.8407000      0.7671000    
 H    7.688000      0.9599000       2.487200    
 H    6.296100      -3.461200      -1.369500    
 H    7.159300      -2.097700      -2.130200    
 H    8.049200      -3.437500      -1.405800    
 H   9.9699996E-02  -1.516900     -0.7747000    
 H   -2.353400     -0.3616000       1.206200    
 H   -2.538200       2.515200     -0.4994000    
 H    2.150000       3.861500      0.3316000    
 H   -5.742500      -3.964200      0.3005000    
 H   -7.364500     -2.0199999E-02  0.6628000    
 H   -1.999300       4.858100     -5.3500000E-02
 H   0.3498000       5.537600      0.3594000    
 H   -2.638300      -3.135200     -0.8148000    
 H   -3.444300      -4.336900      0.1983000    
 H   -2.409300      -3.129300      0.9566000    
 H   -4.799700       1.757400     -0.4095000    
 H   -5.960200       1.843500      0.9218000    
 H   -4.256900       1.624800       1.290400    
 H   -7.682700      -2.462000      0.5370000    


%chk=000028239-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028239

0 1
O 2.392684 -0.724366 -0.013653
O -3.096664 0.848115 -1.503877
N 6.054300 -1.335376 0.431702
N -2.745482 -0.496243 0.387259
N 1.876594 1.569609 -0.243969
C 4.619544 -1.637773 0.204329
C 6.379123 -1.136666 1.870520
C 6.976936 -2.272967 -0.260728
C 3.827460 -0.331392 0.070905
C -0.890279 0.845158 -0.447616
C -0.507809 2.238750 -0.549261
C 7.597264 -0.219865 2.092193
C 7.061564 -2.016407 -1.777224
C 1.471653 0.298516 -0.178857
C 0.904054 2.548899 -0.425866
C 0.100835 -0.119947 -0.268105
C -4.030958 -1.144901 0.464305
C -2.338414 0.415685 -0.585578
C -4.049448 -2.571841 0.479768
C -5.228062 -0.380557 0.575229
C -1.437619 3.309766 -0.740112
C 1.330831 3.910804 -0.490151
C -5.295822 -3.231005 0.585952
C -6.456207 -1.083629 0.664355
C -0.992214 4.634153 -0.798309
C 0.398365 4.936866 -0.671567
C -2.761318 -3.369362 0.369550
C -5.215523 1.132836 0.626637
C -6.496797 -2.492971 0.667955
H 4.506433 -2.216581 -0.729072
H 4.179659 -2.257126 1.021164
H 6.541045 -2.115937 2.388955
H 5.498391 -0.672972 2.353227
H 7.983195 -2.135681 0.175021
H 6.693675 -3.339614 -0.071757
H 3.965490 0.336446 0.940625
H 4.113145 0.226758 -0.836999
H 8.516167 -0.638530 1.643247
H 7.416259 0.768182 1.634592
H 7.786227 -0.082688 3.173411
H 6.081703 -2.144945 -2.272529
H 7.405022 -0.984911 -1.967983
H 7.770258 -2.721565 -2.250691
H -0.121203 -1.190629 -0.233306
H -2.029107 -0.802174 1.051503
H -2.497330 3.074254 -0.869021
H 2.401956 4.112225 -0.393582
H -5.322217 -4.326807 0.591519
H -7.386606 -0.509895 0.745897
H -1.712334 5.445350 -0.949777
H 0.733794 5.978785 -0.721012
H -2.168289 -3.059206 -0.511317
H -2.976248 -4.446447 0.272118
H -2.113423 -3.247199 1.261192
H -5.032657 1.551039 -0.380053
H -6.176736 1.520558 1.004423
H -4.406913 1.508565 1.280902
H -7.457446 -3.014343 0.742218


