%chk=000079648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079648

0 1
 O   -2.527700       1.091500     -0.2916000    
 O    1.502100       1.324700     -2.8899999E-02
 O   -3.881900       2.951400     -0.2719000    
 O   0.2520000       2.453100       1.532800    
 N  -0.3417000       2.427100     -0.7114000    
 C   -3.223300      -1.172500      1.4200000E-02
 C    3.493200      7.4900001E-02  0.3940000    
 C   -3.667900      0.2590000     -5.4800000E-02
 C    2.407800      0.9139000       1.001600    
 C   -3.186500      -1.938500      -1.145600    
 C   -2.851700      -1.720000       1.237100    
 C   -1.525400       3.233200     -0.6282000    
 C    3.328300      -1.302600      0.3015000    
 C    4.654100      0.6825000     -7.1699999E-02
 C   -2.778400       2.426700     -0.3790000    
 C   -2.773100      -3.269200      -1.081800    
 C   -2.438100      -3.050600       1.300900    
 C    4.337100      -2.082600     -0.2637000    
 C    5.662900     -9.7700000E-02 -0.6369000    
 C   -2.398800      -3.825200      0.1414000    
 C    5.504300      -1.480300     -0.7329000    
 C   0.4528000       2.101200      0.3749000    
 H   -4.397200      0.3908000     -0.8639000    
 H   -4.150800      0.5516000      0.8859000    
 H    1.865500      0.3392000       1.762800    
 H    2.839100       1.797300       1.488900    
 H   -3.473500      -1.514900      -2.104100    
 H   -2.876100      -1.125100       2.145900    
 H   -1.412300       3.955100      0.1862000    
 H   -1.632500       3.755500      -1.583000    
 H    2.422100      -1.782000      0.6615000    
 H    4.787000       1.758700     -3.8999999E-03
 H   -2.741700      -3.872100      -1.984600    
 H   -2.145800      -3.483500       2.253100    
 H  -7.5499997E-02   2.058800      -1.619600    
 H    4.213500      -3.159100     -0.3391000    
 H    6.571600      0.3713000      -1.002900    
 H   -2.076300      -4.861100      0.1911000    
 H    6.289600      -2.087700      -1.173300    


%chk=000079648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079648

0 1
O -1.949815 1.117162 -0.910872
O 1.674423 2.411448 0.412466
O -3.967129 2.144889 -0.315846
O -0.099341 1.780397 1.850420
N -0.418134 3.174579 -0.008091
C -2.168849 -1.321493 -0.603382
C 2.959874 0.290010 0.406765
C -2.671625 -0.109736 -1.363788
C 2.626415 1.544084 1.184516
C -2.107740 -2.575973 -1.259513
C -1.805988 -1.235361 0.763923
C -1.854491 3.292327 0.173978
C 2.011459 -0.760831 0.308014
C 4.215605 0.149181 -0.234238
C -2.717186 2.143327 -0.374857
C -1.709630 -3.735251 -0.556019
C -1.401478 -2.393743 1.464215
C 2.312291 -1.928695 -0.425036
C 4.522271 -1.022917 -0.962809
C -1.356713 -3.647746 0.810534
C 3.569977 -2.063669 -1.060704
C 0.338169 2.392525 0.839210
H -2.473144 -0.199567 -2.444997
H -3.753831 0.058918 -1.202069
H 2.150635 1.316303 2.154910
H 3.512038 2.182808 1.331395
H -2.372510 -2.650047 -2.322000
H -1.807125 -0.265045 1.272251
H -2.081587 3.349877 1.253989
H -2.221638 4.227357 -0.283844
H 1.036889 -0.659808 0.798085
H 4.953579 0.958200 -0.165253
H -1.671340 -4.700470 -1.073496
H -1.119212 -2.315133 2.519986
H 0.027677 3.513456 -0.860299
H 1.566797 -2.728740 -0.495682
H 5.497587 -1.123403 -1.452312
H -1.046091 -4.544401 1.358375
H 3.805708 -2.972019 -1.626924


