%chk=000048734.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048734

0 1
 O   0.3843000       2.164500     -0.1066000    
 O  -0.8627000      -2.279900     -0.4801000    
 O    3.579800      -1.205200     -0.2469000    
 N    2.033100      0.5251000      9.9999998E-03
 N    1.353900      -1.719400     -0.2925000    
 C  -0.3230000     -8.7499999E-02  0.3991000    
 C   -1.716000      0.3565000     -7.4299999E-02
 C  -0.3373000     -0.2361000       1.931300    
 C   -2.808600     -0.6235000      0.3963000    
 C   -1.774100      0.4826000      -1.609400    
 C   0.7075000      0.9864000      5.5599999E-02
 C  -1.1000000E-03  -1.452100     -0.1875000    
 C  -0.6838000       1.075600       2.598600    
 C   -4.215600     -0.2335000     -3.5100002E-02
 C  -0.8423000       1.544000      -2.177900    
 C    2.410400     -0.8208000     -0.1616000    
 C    3.095500       1.523400     -1.8999999E-02
 H   -1.967900       1.350800      0.3152000    
 H   0.6619000     -0.5298000       2.283000    
 H  -0.9912000      -1.042100       2.280300    
 H   -2.712500      -1.655400      7.4600004E-02
 H   -2.843300     -0.6431000       1.489900    
 H   -1.586400     -0.4724000      -2.111700    
 H   -2.782300      0.7841000      -1.914600    
 H   1.1400000E-02   1.884800       2.362000    
 H   -1.704700       1.409100       2.398600    
 H  -0.6238000      0.9397000       3.685500    
 H   -4.384500     -0.4239000      -1.099100    
 H   -4.953200     -0.8283000      0.5151000    
 H   -4.418100      0.8219000      0.1731000    
 H   -1.120800       1.674500      -3.234000    
 H   0.2035000       1.239800      -2.240800    
 H   -1.008100       2.533200      -1.744000    
 H    1.606000      -2.669700     -0.5498000    
 H    3.991800       1.142600      0.4793000    
 H    2.777000       2.448800      0.4690000    
 H    3.336000       1.734100      -1.065700    


%chk=000048734-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048734

0 1
O 0.402617 2.221558 0.425571
O -0.646079 -2.467155 -0.264680
O 3.681836 -0.898842 -0.682977
N 2.047348 0.669971 -0.042141
N 1.480164 -1.604134 -0.453245
C -0.328839 -0.123610 0.439434
C -1.721765 0.324943 -0.167709
C -0.371511 -0.368946 2.015559
C -2.943716 -0.463079 0.390100
C -1.738467 0.271385 -1.726950
C 0.699271 1.010169 0.243669
C 0.117180 -1.473938 -0.134523
C -0.880219 0.809590 2.868545
C -4.293461 0.242008 0.117884
C -0.659019 1.083731 -2.478150
C 2.486653 -0.622193 -0.402965
C 3.040235 1.771765 -0.055585
H -1.826420 1.385181 0.139376
H 0.652129 -0.641936 2.344050
H -0.999368 -1.263061 2.180849
H -2.948417 -1.480555 -0.040821
H -2.850135 -0.591918 1.483190
H -1.696587 -0.788890 -2.046458
H -2.726995 0.647015 -2.051041
H -0.272538 1.717931 2.724408
H -1.925936 1.068317 2.630280
H -0.837085 0.528697 3.937009
H -4.528407 0.297965 -0.959847
H -5.120702 -0.306557 0.604634
H -4.292223 1.274658 0.516971
H -0.858593 1.060907 -3.565337
H 0.359004 0.674473 -2.335024
H -0.646351 2.139483 -2.153607
H 1.795479 -2.531055 -0.758872
H 4.029175 1.332566 -0.247382
H 3.027458 2.292721 0.914727
H 2.785084 2.499634 -0.843043


