%chk=000046471.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046471

0 1
 O   -4.091100       1.205200      0.6394000    
 O    1.727500      0.8651000      -1.858200    
 N   0.9898000      -1.704700     -0.8908000    
 C   0.1065000      -1.413500      0.2436000    
 C  -0.7774000      -2.654100      0.4510000    
 C  -0.6959000     -0.1300000      8.7600000E-02
 C   -1.863500      -2.375400       1.480100    
 C   -2.796000      -1.284800      0.9644000    
 C   -2.056300     -7.2099999E-02  0.4565000    
 C  -6.8800002E-02   1.051200     -0.3496000    
 C   -2.766700       1.131800      0.3162000    
 C  -0.7829000       2.244200     -0.4722000    
 C    1.350600       1.093000     -0.6931000    
 C   -2.133500       2.282800     -0.1464000    
 C   0.2083000      -1.842500      -2.116400    
 C    1.761500      -2.916800     -0.6311000    
 C    2.389800       1.422500      0.3915000    
 C    3.740800      0.7425000      0.1619000    
 C    4.725600       1.070000       1.283700    
 C   -5.025800      0.9195000     -0.3975000    
 C    6.057400      0.3660000       1.079400    
 H   0.7154000      -1.271100       1.148200    
 H  -0.1964000      -3.499600      0.8368000    
 H   -1.292900      -2.997100     -0.4510000    
 H   -1.406400      -2.065300       2.428500    
 H   -2.438300      -3.286300       1.683000    
 H   -3.474800      -1.006900       1.779200    
 H   -3.402200      -1.689800      0.1450000    
 H  -0.2941000       3.151100     -0.8195000    
 H   -2.684900       3.213600     -0.2464000    
 H  -0.4792000      -1.012700      -2.306700    
 H  -0.3492000      -2.780400      -2.203400    
 H   0.9031000      -1.834800      -2.966200    
 H    2.576300      -2.979000      -1.362700    
 H    1.194100      -3.849400     -0.7227000    
 H    2.244800      -2.884300      0.3523000    
 H    2.511500       2.511700      0.4058000    
 H    1.985300       1.115100       1.362800    
 H    4.158200       1.061900     -0.8007000    
 H    3.597700     -0.3428000      9.7900003E-02
 H    4.304800      0.7661000       2.249300    
 H    4.892000       2.152500       1.328300    
 H   -4.986100       1.697900      -1.166100    
 H   -6.028700      0.9117000      3.8300000E-02
 H   -4.834200     -5.8300000E-02 -0.8491000    
 H    6.746400      0.6148000       1.892500    
 H    6.521200      0.6705000      0.1357000    
 H    5.928300     -0.7209000       1.064100    


%chk=000046471-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046471

0 1
O -4.311172 0.841055 0.307086
O 1.738690 0.943099 -2.018731
N 1.042922 -1.787418 -0.676034
C -0.031152 -1.662601 0.348732
C -0.943441 -2.905836 0.523359
C -0.841172 -0.391855 0.061333
C -2.067362 -2.581425 1.529597
C -2.993976 -1.483405 0.968444
C -2.228630 -0.326279 0.339821
C -0.169110 0.708967 -0.544994
C -2.937461 0.861929 -0.005697
C -0.906765 1.856526 -0.904310
C 1.322031 0.711112 -0.840501
C -2.288339 1.949721 -0.629732
C 0.600781 -2.046850 -2.061210
C 2.177183 -2.637494 -0.273492
C 2.260906 0.823813 0.371609
C 3.757008 0.703558 0.026359
C 4.673201 0.977868 1.239712
C -5.100442 2.028300 -0.025215
C 6.173500 0.850594 0.896337
H 0.501888 -1.520185 1.315438
H -0.340556 -3.765704 0.871725
H -1.392140 -3.185270 -0.450394
H -1.614539 -2.240648 2.482970
H -2.658770 -3.487345 1.760204
H -3.661755 -1.091452 1.757715
H -3.672289 -1.919232 0.205943
H -0.391833 2.681107 -1.408589
H -2.835786 2.853930 -0.910531
H -0.267789 -1.413041 -2.301660
H 0.329388 -3.111985 -2.241138
H 1.414560 -1.763981 -2.752755
H 2.994092 -2.524639 -1.008205
H 1.920040 -3.721627 -0.216158
H 2.554268 -2.319984 0.715757
H 2.064347 1.825282 0.817900
H 1.967526 0.095056 1.151020
H 3.990832 1.406779 -0.794970
H 3.960955 -0.307905 -0.375577
H 4.421001 0.277058 2.062881
H 4.468937 1.996864 1.628739
H -4.726052 2.923665 0.508020
H -6.122461 1.797114 0.309884
H -5.099813 2.220307 -1.115811
H 6.811697 1.053884 1.776185
H 6.456809 1.563679 0.099448
H 6.411842 -0.167006 0.532690


