%chk=000083633.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083633

0 1
 O   0.3749000       2.481500     -8.8699996E-02
 O  -0.7898000      -2.731500      4.6200000E-02
 O    1.676700      -3.384300      9.2000002E-03
 O   -2.091700       3.134100     -5.7300001E-02
 N    2.923400       2.038200     -0.1291000    
 N   -3.338400      -2.288400      8.6199999E-02
 C    1.188800      0.2716000     -5.7200000E-02
 C   0.8780000      -1.089400     -2.2100000E-02
 C   -1.603700     -0.5218000      1.4300000E-02
 C   -1.293000      0.8392000     -2.1199999E-02
 C   0.1146000       1.285700     -5.8400001E-02
 C  -0.5296000      -1.535800      1.5200000E-02
 C    2.527100      0.6815000     -9.2100002E-02
 C   -2.942000     -0.9317000      4.9400002E-02
 C    1.905400      -2.040500     -2.2399999E-02
 C   -2.320300       1.790400     -2.1900000E-02
 C    3.547700     -0.2696000     -9.2299998E-02
 C    3.237600      -1.627600     -5.7799999E-02
 C   -3.962700      1.9400001E-02  4.8500001E-02
 C   -3.652600       1.377500      1.2700000E-02
 C    4.149500       2.501300      0.4387000    
 H    4.598000      4.1999999E-03 -0.1320000    
 H    4.040400      -2.360400     -6.1400000E-02
 H   -5.007100     -0.2819000      7.5099997E-02
 H   -4.455800       2.109800      1.1900000E-02
 H    2.203900       2.727700     -0.3104000    
 H   -2.651700      -3.028800      9.0400003E-02
 H   -4.321500      -2.525800      0.1116000    
 H    5.011800       2.215800     -0.1720000    
 H    4.288400       2.132900       1.460700    
 H    4.141000       3.595300      0.4850000    
 H   0.7267000      -3.571900      3.0400001E-02
 H   -1.141800       3.321700     -8.1799999E-02


%chk=000083633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083633

0 1
O 0.342016 2.588651 0.081212
O -0.791942 -2.857872 -0.017261
O 1.621914 -3.419525 0.016475
O -2.071185 3.150742 0.044198
N 2.884793 2.056456 0.125164
N -3.344346 -2.318466 -0.052870
C 1.170655 0.309384 0.064203
C 0.844412 -1.094932 0.037489
C -1.619406 -0.578468 0.001284
C -1.293389 0.826178 0.026295
C 0.094754 1.278213 0.058068
C -0.544330 -1.550322 0.006633
C 2.556366 0.722005 0.095812
C -2.999826 -0.987381 -0.028723
C 1.886781 -2.073933 0.041365
C -2.335910 1.804558 0.020843
C 3.575450 -0.296515 0.096859
C 3.249464 -1.650495 0.070719
C -4.020792 0.026135 -0.033013
C -3.699376 1.381205 -0.009128
C 4.250581 2.573581 0.162974
H 4.628229 -0.000763 0.117758
H 4.025202 -2.421944 0.071129
H -5.072208 -0.284165 -0.055636
H -4.475975 2.151548 -0.012290
H 2.059522 2.691118 0.115728
H -2.562668 -2.996256 -0.046761
H -4.321225 -2.602394 -0.074180
H 4.832035 2.283269 -0.735036
H 4.802969 2.223761 1.057874
H 4.209585 3.673842 0.199128
H 0.571070 -3.498821 -0.004465
H -1.021018 3.230006 0.065555


