%chk=000004499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004499

0 1
 O    2.197500      0.8553000      0.1186000    
 O   -3.926200     -0.3856000       1.310600    
 O    1.447500       1.461100       2.223300    
 O   -3.633300      -1.405200     -0.7471000    
 O    1.728000      -2.599500       1.947800    
 O   0.4359000     -0.8420000       2.195100    
 N   -1.682800       2.671600     -0.7372000    
 N   0.9212000      -1.756900       1.488500    
 C  -0.9434000      0.1755000      0.3810000    
 C  -1.7999999E-02   1.397600      0.3618000    
 C   -2.357900      0.4903000     -0.1159000    
 C  -0.3466000     -0.9311000     -0.4403000    
 C  -0.4110000       2.565200     -0.1964000    
 C   -2.656200       1.688100     -0.6679000    
 C    1.282100       1.250100       1.036100    
 C   0.5439000      -1.841700      0.1198000    
 C  -0.7040000      -1.026900      -1.781800    
 C   0.4303000       3.808600     -0.3014000    
 C   -3.374500     -0.5552000      8.4799998E-02
 C   -3.995200       2.080000      -1.231800    
 C    4.455500      0.2236000     -0.5046000    
 C    3.522600      0.6668000      0.6258000    
 C    1.082300      -2.858300     -0.6692000    
 C  -0.1653000      -2.043500      -2.570800    
 C   0.7278000      -2.959000      -2.014500    
 C    5.850800     -7.1800001E-02  4.1099999E-02
 C    4.529700       1.277500      -1.611500    
 C   -4.940800      -1.334500       1.656000    
 H   -1.203300     -8.2500003E-02   1.407800    
 H   -1.941400       3.558400      -1.155100    
 H   -1.364300     -0.3207000      -2.274600    
 H  -5.0999999E-02   4.636300      0.2307000    
 H    1.431700       3.683300      0.1201000    
 H   0.5499000       4.096100      -1.351600    
 H   -4.398600       2.939200     -0.6854000    
 H   -3.893900       2.357800      -2.286500    
 H   -4.734000       1.275700      -1.174600    
 H    4.049600     -0.6930000     -0.9513000    
 H    3.877600       1.607900       1.064000    
 H    3.500100     -9.9399999E-02   1.409700    
 H    1.782300      -3.589900     -0.2737000    
 H  -0.4343000      -2.117400      -3.620400    
 H    1.148800      -3.748800      -2.629900    
 H    6.515300     -0.4193000     -0.7570000    
 H    5.811100     -0.8543000      0.8063000    
 H    6.299600      0.8203000      0.4912000    
 H    5.200400      0.9509000      -2.413300    
 H    4.903100       2.232300      -1.225800    
 H    3.544800       1.453700      -2.056300    
 H   -5.777400      -1.266700      0.9540000    
 H   -4.525000      -2.346600       1.665900    
 H   -5.303600      -1.094100       2.658800    


%chk=000004499-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004499

0 1
O 2.055558 1.092149 0.419612
O -2.068929 -1.339019 1.225815
O 2.051976 3.354380 -0.135565
O -4.178650 -0.449842 0.809391
O 0.165734 -3.539660 0.723321
O 0.876492 -1.521346 1.481553
N -2.126668 2.848986 -1.052892
N 0.428407 -2.282103 0.547055
C -0.612736 0.637928 -0.009109
C -0.002520 2.022124 -0.303906
C -2.156229 0.715487 0.042347
C -0.186823 -0.400513 -1.079318
C -0.753677 3.045737 -0.855052
C -2.848030 1.766264 -0.538663
C 1.426452 2.259657 -0.019159
C 0.231183 -1.736529 -0.822808
C -0.307102 -0.039101 -2.446792
C -0.256768 4.417612 -1.257020
C -2.922682 -0.360234 0.695653
C -4.350692 1.905451 -0.649519
C 4.042124 -0.182388 1.056644
C 3.479102 1.228914 0.840071
C 0.503560 -2.658338 -1.862759
C -0.018028 -0.933727 -3.496536
C 0.389077 -2.256248 -3.205064
C 5.425763 -0.077023 1.741308
C 4.130937 -0.960996 -0.275186
C -2.724136 -2.449889 1.952108
H -0.234410 0.285574 0.962242
H -2.656937 3.612891 -1.473582
H -0.631752 0.979251 -2.683740
H 0.038201 5.003948 -0.370077
H 0.649790 4.351153 -1.878396
H -1.039420 4.972423 -1.808488
H -4.812985 1.997828 0.347926
H -4.619810 2.792524 -1.253383
H -4.802672 1.007796 -1.099810
H 3.345461 -0.717717 1.730503
H 4.031806 1.782664 0.057353
H 3.499895 1.828032 1.770236
H 0.801899 -3.676114 -1.597616
H -0.113575 -0.603552 -4.536687
H 0.614325 -2.963110 -4.009835
H 5.849082 -1.083291 1.911648
H 5.359444 0.432347 2.721033
H 6.141428 0.485693 1.110623
H 4.475353 -1.997063 -0.101147
H 4.848466 -0.476462 -0.966383
H 3.147576 -1.002692 -0.774711
H -3.178386 -2.072385 2.883811
H -3.506493 -2.908190 1.324729
H -1.911580 -3.159982 2.161119


