%chk=000042638.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042638

0 1
 O    2.500800     -4.3900002E-02  -1.249300    
 O    2.925300       3.630500      0.5064000    
 O    2.844400      -3.610700      0.7609000    
 O   -1.201800     -0.1368000      -2.766800    
 O   -4.148600      0.1153000       1.956700    
 O   -4.413600      4.1000000E-03 -0.2196000    
 N    2.111100     -3.0000001E-04  9.4999999E-02
 N   3.2900002E-02 -0.1082000      -2.141300    
 N   -2.242900     -8.6900003E-02  -1.855600    
 N   -3.670000      5.4000001E-02  0.7944000    
 C    2.783100       1.246600      0.6660000    
 C    2.767800      -1.218600      0.7411000    
 C   0.6723000      1.3700000E-02  0.2553000    
 C  -0.2229000     -3.9700001E-02 -0.8288000    
 C    2.286000       2.486700     -4.5600001E-02
 C    2.215400      -2.494900      0.1436000    
 C   5.3300001E-02  8.0499999E-02   1.516800    
 C   -1.669500     -2.6100000E-02 -0.6473000    
 C   -1.355300      9.3699999E-02   1.693600    
 C   -2.267900      4.1099999E-02  0.6244000    
 H    2.590700       1.280800       1.743800    
 H    3.863800       1.126700      0.5197000    
 H    3.847100      -1.142400      0.5611000    
 H    2.599200      -1.163900       1.822400    
 H    2.497500       2.467100      -1.119200    
 H    1.209200       2.630900      7.8299999E-02
 H    1.138900      -2.596100      0.3082000    
 H    2.404500      -2.554200     -0.9329000    
 H   0.6653000      0.1223000       2.416800    
 H   -1.721300      0.1469000       2.718800    
 H    3.882500       3.525400      0.3707000    
 H    2.470700      -4.410900      0.3540000    


%chk=000042638-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042638

0 1
O 2.507330 -0.082053 -1.290317
O 3.024215 3.653178 0.536570
O 2.784980 -3.640577 0.919418
O -1.242528 -0.102905 -2.851039
O -4.086005 0.171433 2.103640
O -4.476859 0.081425 -0.149202
N 2.122395 -0.037599 0.083697
N 0.077374 -0.097059 -2.225578
N -2.330576 -0.039892 -1.908191
N -3.691947 0.111875 0.871033
C 2.752959 1.235836 0.714610
C 2.694716 -1.290318 0.785446
C 0.621010 0.000468 0.262649
C -0.234486 -0.031479 -0.888042
C 2.283224 2.509230 -0.010764
C 2.270565 -2.567084 0.054442
C 0.046852 0.072023 1.531978
C -1.691200 0.004487 -0.702484
C -1.369756 0.109320 1.715390
C -2.235653 0.075183 0.624051
H 2.517184 1.279427 1.793021
H 3.836455 1.094507 0.571665
H 3.788678 -1.179420 0.740390
H 2.361197 -1.319228 1.838041
H 2.426911 2.377695 -1.098636
H 1.222873 2.726333 0.198719
H 1.166466 -2.631747 -0.034395
H 2.716312 -2.576812 -0.955309
H 0.680790 0.100814 2.423181
H -1.801482 0.163792 2.718456
H 3.885613 3.749336 0.058710
H 2.820393 -4.487491 0.410450


