%chk=000121076.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121076

0 1
 O   -3.232700       2.893800     -0.3635000    
 O    4.007000       1.569700      0.4342000    
 O    4.833200     -0.6986000     -0.9426000    
 N   -1.307500      8.3999999E-02  0.3440000    
 N   -1.466300       1.462200      0.2406000    
 C  -0.3513000     -0.4608000       1.273200    
 C   -2.561500     -0.4598000      0.1182000    
 C   -3.484200      0.5317000     -0.2219000    
 C    1.032600     -0.5213000      0.6832000    
 C   -2.754800       1.797900     -0.1408000    
 C   -2.980800      -1.775800      0.1827000    
 C   -4.810000      0.2826000     -0.5121000    
 C    1.886800      0.5621000      0.8331000    
 C    1.433900      -1.659200     -2.4000001E-03
 C    3.168700      0.5065000      0.2860000    
 C   -4.320200      -2.066600     -0.1086000    
 C   -5.225500      -1.046600     -0.4550000    
 C    2.715700      -1.714900     -0.5494000    
 C    3.583200     -0.6322000     -0.4052000    
 C    3.966600       2.573300     -0.5785000    
 C    5.867200      -1.227900     -0.1150000    
 H  -0.6287000      -1.470800       1.601400    
 H  -0.3388000      0.1330000       2.197600    
 H  -0.6724000       2.073400      0.3844000    
 H   -2.299200      -2.580700      0.4362000    
 H    1.568400       1.450400       1.372600    
 H   -5.502700       1.076400     -0.7639000    
 H   0.7651000      -2.506800     -0.1224000    
 H   -4.666100      -3.096400     -6.8800002E-02
 H   -6.259300      -1.299800     -0.6742000    
 H    3.031500      -2.604500      -1.087600    
 H    2.971800       3.027400     -0.6285000    
 H    4.236100       2.150200      -1.551400    
 H    4.692900       3.349100     -0.3213000    
 H    5.645700      -2.264000      0.1597000    
 H    5.990200     -0.6181000      0.7857000    
 H    6.802500      -1.208300     -0.6808000    


%chk=000121076-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121076

0 1
O -3.156746 2.164523 -2.004230
O 4.232082 1.235459 1.218548
O 4.921549 -0.367965 -1.146928
N -1.491184 -0.320634 -0.045117
N -1.541935 0.905429 -0.788496
C -0.445248 -0.410693 0.998566
C -2.836127 -0.681903 0.176329
C -3.693080 0.199974 -0.543408
C 0.960051 -0.358023 0.409566
C -2.858320 1.221250 -1.216151
C -3.359769 -1.745766 0.948321
C -5.090133 0.012016 -0.543013
C 1.960924 0.417319 1.038372
C 1.290189 -1.096734 -0.755532
C 3.279760 0.445290 0.536088
C -4.760248 -1.915833 0.948400
C -5.622826 -1.055417 0.209087
C 2.610037 -1.088461 -1.251916
C 3.619011 -0.343612 -0.601807
C 4.823851 2.331765 0.412620
C 5.969934 -0.892150 -0.237580
H -0.608901 -1.376981 1.510800
H -0.577275 0.395841 1.750421
H -0.692264 1.203732 -1.271192
H -2.716795 -2.425617 1.516132
H 1.736241 1.028685 1.919672
H -5.730010 0.692860 -1.113749
H 0.513794 -1.679988 -1.262602
H -5.194790 -2.735943 1.531143
H -6.703790 -1.227226 0.232432
H 2.889522 -1.667490 -2.137871
H 4.038306 3.057019 0.129034
H 5.315495 1.938324 -0.495128
H 5.558936 2.814201 1.074098
H 5.773390 -1.956850 -0.010907
H 6.010344 -0.310639 0.700736
H 6.913124 -0.795162 -0.795837


