%chk=000050912.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050912

0 1
 O   -2.787500      -2.234900      0.6854000    
 O   -2.784800       1.989700      -1.295300    
 O    3.725700     -0.5891000       1.309900    
 O    3.562400       1.689800       1.590100    
 N   -2.374100     -9.2399999E-02 -0.2384000    
 N    5.730500     -0.2740000     -0.6669000    
 C   -4.490600      -1.078800     -0.5314000    
 C   -4.503700      0.3377000      -1.140900    
 C   -5.595900     -0.9992000      0.5478000    
 C   -5.605600       1.057600     -0.3312000    
 C   -5.444100      0.4384000       1.062600    
 C   -6.913000     -0.8294000     -0.1772000    
 C   -6.919800      0.4060000     -0.7035000    
 C   -3.106400      -1.244400      3.9799999E-02
 C   -3.118500      0.8789000     -0.9032000    
 C   -1.004300      8.3200000E-02  0.1497000    
 C  -0.1508000      -1.019000      0.2193000    
 C  -0.5219000       1.356100      0.4584000    
 C    1.181200     -0.8489000      0.5965000    
 C   0.8102000       1.526400      0.8356000    
 C    1.661700      0.4239000      0.9047000    
 C    3.050300      0.6007000       1.298800    
 C    5.943000      -1.074300      0.5299000    
 C    5.106800     -0.5458000       1.684400    
 C    6.090200       1.125400     -0.4254000    
 C    6.503500     -0.8076000      -1.791100    
 C    5.807400       1.983500      -1.646700    
 C    6.148000      -2.259700      -2.061800    
 H   -4.673800      -1.857100      -1.280300    
 H   -4.705500      0.3193000      -2.217900    
 H   -5.583300      -1.763300       1.325900    
 H   -5.599900       2.148100     -0.3484000    
 H   -6.234200      0.7349000       1.765400    
 H   -4.475600      0.6435000       1.529500    
 H   -7.677200      -1.580900     -0.2947000    
 H   -7.690100      0.8346000      -1.324300    
 H  -0.4789000      -2.019100     -4.7100000E-02
 H   -1.160800       2.233400      0.4536000    
 H    1.810000      -1.734300      0.6286000    
 H    1.162700       2.525200       1.079500    
 H    7.000200      -1.104800      0.8217000    
 H    5.608100      -2.104600      0.3698000    
 H    5.441000      0.4227000       2.068900    
 H    5.213600      -1.238600       2.528100    
 H    7.150100       1.221500     -0.1552000    
 H    5.525100       1.578300      0.3836000    
 H    7.584400     -0.7190000      -1.624200    
 H    6.264300     -0.2687000      -2.713500    
 H    5.873900       3.042900      -1.373400    
 H    4.798600       1.811700      -2.037600    
 H    6.533900       1.826100      -2.449700    
 H    5.064100      -2.414700      -2.096000    
 H    6.549200      -2.558200      -3.037200    
 H    6.585000      -2.942400      -1.326500    


%chk=000050912-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050912

0 1
O -2.756527 -2.260006 1.076935
O -2.447686 1.514098 -1.738307
O 3.902876 -0.703097 1.640371
O 3.737713 1.627879 1.491762
N -2.252549 -0.327664 -0.231277
N 5.869733 -0.116218 -0.545683
C -4.474623 -1.242042 -0.398111
C -4.374948 0.008094 -1.317927
C -5.611642 -0.842512 0.639192
C -5.462788 0.996543 -0.706742
C -5.314098 0.680229 0.815979
C -6.902968 -0.773812 -0.189562
C -6.813654 0.325595 -0.994114
C -3.099429 -1.384911 0.249877
C -2.946180 0.520709 -1.162230
C -0.882830 -0.136048 0.175327
C -0.056708 -1.261346 0.427299
C -0.363113 1.176505 0.317902
C 1.280819 -1.071883 0.820832
C 0.975540 1.354405 0.708950
C 1.808522 0.236040 0.964059
C 3.221869 0.488609 1.371138
C 6.112128 -1.024374 0.591497
C 5.365316 -0.601833 1.868739
C 6.652960 1.146165 -0.469736
C 5.947573 -0.789441 -1.868484
C 5.970422 2.321057 -1.195371
C 4.711293 -1.656006 -2.177720
H -4.726734 -2.180179 -0.917912
H -4.572835 -0.182337 -2.384608
H -5.625203 -1.473945 1.538354
H -5.340076 2.038165 -1.034615
H -6.080804 1.186584 1.423281
H -4.313620 0.900293 1.230301
H -7.690639 -1.531285 -0.177550
H -7.513694 0.644616 -1.770354
H -0.461385 -2.270255 0.328526
H -0.993202 2.042791 0.108795
H 1.925887 -1.932121 1.016702
H 1.396117 2.358391 0.823552
H 7.199748 -1.114310 0.851896
H 5.768251 -2.037207 0.316202
H 5.605629 0.431238 2.174707
H 5.582120 -1.301733 2.693832
H 7.692488 1.000356 -0.860615
H 6.752025 1.418107 0.596965
H 6.877559 -1.407344 -1.960154
H 6.023043 -0.000259 -2.637940
H 6.584848 3.236594 -1.104358
H 4.983506 2.510405 -0.741292
H 5.828959 2.119432 -2.272877
H 3.797684 -1.038049 -2.136495
H 4.796318 -2.103081 -3.186155
H 4.591787 -2.483303 -1.454287


