%chk=000046468.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046468

0 1
 O    3.612400      5.2800000E-02 -7.2899997E-02
 O   -2.120200       2.204000      -1.346400    
 O   -2.278800       2.041200      0.8370000    
 N   -2.364900     -0.7376000      0.4468000    
 N   -1.640500       1.898300     -0.2308000    
 C   -1.225700     -0.9909000     -0.4420000    
 C  -0.8132000      -2.456800     -0.2322000    
 C  -7.1800001E-02 -1.5699999E-02 -0.2598000    
 C   0.4857000      -2.760800     -0.9649000    
 C    1.617300      -1.924700     -0.3777000    
 C    1.266100     -0.4625000     -0.2591000    
 C  -0.3172000       1.367100     -0.1743000    
 C    2.311200      0.4640000     -0.1058000    
 C   -1.947300     -0.8348000       1.842500    
 C   -3.444500      -1.679200      0.1637000    
 C   0.7308000       2.278400     -3.5100002E-02
 C    2.044400       1.826400      6.5000001E-03
 C    4.156100     -0.2691000       1.204500    
 H   -1.548700     -0.8718000      -1.486500    
 H   -1.563900      -3.145800     -0.6363000    
 H  -0.6458000      -2.733500      0.8131000    
 H   0.3693000      -2.542800      -2.034100    
 H   0.7311000      -3.825500     -0.8786000    
 H    2.500700      -2.056800      -1.013600    
 H    1.862400      -2.304700      0.6214000    
 H   -2.748700     -0.4218000       2.468700    
 H   -1.060300     -0.2441000       2.091000    
 H   -1.792000      -1.856400       2.204300    
 H   -4.358700      -1.325400      0.6556000    
 H   -3.272600      -2.696900      0.5309000    
 H   -3.676400      -1.717300     -0.9069000    
 H   0.5364000       3.345700      3.9500002E-02
 H    2.855900       2.540200      0.1176000    
 H    5.158000     -0.6813000       1.055900    
 H    3.545300      -1.015000       1.721500    
 H    4.238100      0.6338000       1.817800    


%chk=000046468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046468

0 1
O 3.600703 -0.377030 0.400679
O -2.202169 1.463114 -1.318824
O -2.197905 2.333267 0.802536
N -2.360741 -0.845028 0.445485
N -1.688156 1.590018 -0.128860
C -1.227026 -1.254470 -0.415325
C -0.818553 -2.747467 -0.301110
C -0.044449 -0.315599 -0.138713
C 0.528678 -2.993444 -1.012398
C 1.660219 -2.221061 -0.301299
C 1.289818 -0.768508 -0.040461
C -0.319705 1.057549 0.080784
C 2.309817 0.168219 0.314092
C -2.248988 -1.073926 1.889044
C -3.697823 -0.960322 -0.140061
C 0.676601 1.971995 0.451994
C 2.010167 1.525976 0.570297
C 4.699767 0.522788 0.762934
H -1.561256 -1.063159 -1.455485
H -1.617368 -3.378060 -0.733886
H -0.717703 -3.028010 0.766089
H 0.455338 -2.663322 -2.068064
H 0.766739 -4.073501 -1.026954
H 2.593763 -2.253252 -0.892167
H 1.905556 -2.715114 0.661521
H -2.944750 -0.395872 2.416788
H -1.225693 -0.833984 2.228786
H -2.481740 -2.118696 2.202145
H -4.438467 -0.528571 0.556295
H -4.007917 -2.008069 -0.363572
H -3.729967 -0.371610 -1.077262
H 0.412215 3.016718 0.638481
H 2.790555 2.236628 0.854301
H 5.599879 -0.108978 0.759781
H 4.548832 0.953593 1.771490
H 4.811729 1.337888 0.022216


