%chk=000019229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019229

0 1
 O  -0.6849000       1.026800     -0.7929000    
 O    5.518600      0.8328000     -0.2544000    
 N   -3.210200      0.2781000     -0.1317000    
 N   0.2603000     -0.8621000      0.2292000    
 C   -2.180100     -0.7511000     -0.2275000    
 C   -3.019100       1.086200       1.073500    
 C   -4.543000     -0.3265000     -0.1326000    
 C  -0.8080000     -9.1899998E-02 -0.2870000    
 C   -4.078500       2.162300       1.193600    
 C   -4.792600      -1.117400      -1.400100    
 C    1.634500     -0.4197000      0.1026000    
 C   5.1399998E-02  -2.192400      0.8218000    
 C    1.966600      0.3450000     -0.9827000    
 C    2.522400     -0.7915000       1.075500    
 C    3.289300      0.7710000      -1.104500    
 C    3.845000     -0.3654000      0.9537000    
 C    4.228500      0.4158000     -0.1364000    
 H   -2.273900      -1.423900      0.6290000    
 H   -2.252900      -1.333800      -1.151400    
 H   -3.036200      0.4645000       1.978500    
 H   -2.056500       1.606300       1.069500    
 H   -4.702500     -0.9683000      0.7431000    
 H   -5.319700      0.4447000     -0.1203000    
 H   -4.206200       2.715700      0.2569000    
 H   -5.048100       1.766400       1.511400    
 H   -3.778000       2.887500       1.958700    
 H   -4.526400     -0.5451000      -2.295500    
 H   -4.251700      -2.068600      -1.414000    
 H   -5.857700      -1.364400      -1.476500    
 H  -0.2822000      -2.066500       1.856000    
 H   0.9572000      -2.805500      0.7866000    
 H  -0.7047000      -2.746600      0.2588000    
 H    1.292500      0.5862000      -1.795300    
 H    2.246200      -1.371000       1.950100    
 H    3.579400       1.366400      -1.966200    
 H    4.570700     -0.6389000       1.714800    
 H    5.605500       1.362700      -1.065400    


%chk=000019229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019229

0 1
O -0.710113 1.114008 -0.287998
O 5.682639 0.802648 -0.305777
N -3.328040 0.170657 0.155967
N 0.290772 -0.954409 0.183158
C -2.202974 -0.758891 0.304212
C -3.375292 1.218289 1.213762
C -4.622107 -0.537290 -0.024354
C -0.825753 -0.103510 0.031998
C -4.108770 2.490826 0.752110
C -4.784878 -1.168306 -1.421263
C 1.643492 -0.461110 0.046270
C 0.133206 -2.363273 0.612397
C 1.988449 0.511405 -0.928264
C 2.667819 -0.982773 0.881695
C 3.322384 0.946268 -1.059127
C 4.003238 -0.556651 0.747805
C 4.332603 0.412893 -0.223662
H -2.173408 -1.243316 1.318135
H -2.340169 -1.581915 -0.423474
H -3.843205 0.820813 2.151662
H -2.335969 1.495656 1.453614
H -4.780040 -1.318206 0.765616
H -5.424696 0.208411 0.114075
H -3.599566 2.903878 -0.134727
H -5.164833 2.297371 0.488303
H -4.099228 3.251242 1.555266
H -4.656042 -0.396378 -2.199115
H -4.047812 -1.970236 -1.612277
H -5.790887 -1.615870 -1.525449
H 0.080999 -2.467986 1.714176
H 0.991397 -2.947768 0.244007
H -0.777738 -2.803984 0.180727
H 1.214201 0.935024 -1.568194
H 2.427761 -1.716846 1.657551
H 3.569710 1.700515 -1.817574
H 4.792058 -0.955289 1.392064
H 5.805794 1.491901 -1.004416


