%chk=000047604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047604

0 1
 O    2.191700      -1.294400     -0.2145000    
 O  -0.7891000       1.700800     -0.4315000    
 O    2.947400       2.360200       1.890400    
 O    4.215000     -0.8547000      0.8023000    
 O    4.832900       2.602400      0.6684000    
 O   0.5449000       2.331800      -2.191300    
 N    1.440200       1.687000     -0.1502000    
 C    2.836600       1.844200     -0.4745000    
 C    3.409000      0.5369000      -1.027600    
 C    3.353500     -0.5994000     -2.7700000E-02
 C    3.640800       2.320700      0.7268000    
 C    1.997200      -2.414600      0.6549000    
 C   0.6867000      -3.067600      0.3266000    
 C   0.4125000       1.943800      -1.035200    
 C   -1.950300       1.926900      -1.238400    
 C   -3.176000       1.615500     -0.4309000    
 C  -0.4792000      -2.654700      0.9718000    
 C   0.6340000      -4.087000     -0.6241000    
 C   -3.704600      0.3245000     -0.4351000    
 C   -3.786800       2.616600      0.3245000    
 C   -1.697500      -3.261400      0.6665000    
 C  -0.5844000      -4.693700     -0.9294000    
 C   -1.750100      -4.280700     -0.2840000    
 C   -4.843900      3.4699999E-02  0.3157000    
 C   -4.926100       2.326600       1.075400    
 C   -5.454500       1.035700       1.070900    
 H    2.916600       2.628100      -1.237100    
 H    2.882600      0.2333000      -1.941200    
 H    4.460500      0.6636000      -1.313600    
 H    1.192900       1.356800      0.7781000    
 H    2.819100      -3.130100      0.5271000    
 H    2.000700      -2.077600       1.699000    
 H   -1.911900       1.287800      -2.129300    
 H   -1.972000       2.971900      -1.571500    
 H  -0.4517000      -1.858800       1.711400    
 H    1.535000      -4.415800      -1.135300    
 H   -3.236000     -0.4647000      -1.017100    
 H   -3.383200       3.625500      0.3378000    
 H   -2.605500      -2.938500       1.167400    
 H  -0.6258000      -5.486800      -1.670100    
 H   -5.254400     -0.9708000      0.3132000    
 H   -5.401400       3.105800       1.664200    
 H   -2.699000      -4.752300     -0.5224000    
 H    3.508300       2.647800       2.642000    
 H   -6.341300      0.8099000       1.655900    


%chk=000047604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047604

0 1
O 2.274568 -1.833500 -0.559835
O -0.735250 2.943787 0.246702
O 3.623126 2.850801 1.412738
O 2.560910 -0.306899 1.187082
O 5.044060 1.725062 -0.039390
O 0.186841 2.521443 -1.893980
N 1.428626 2.275723 0.074358
C 2.660989 1.902276 -0.617431
C 2.643629 0.450129 -1.159759
C 2.493018 -0.565708 -0.040258
C 3.897641 2.120284 0.256773
C 2.059826 -2.954737 0.433906
C 0.586275 -3.266034 0.560322
C 0.291806 2.569597 -0.635402
C -2.074260 3.190884 -0.389354
C -2.928509 1.941665 -0.378633
C -0.268044 -2.398842 1.290963
C 0.038550 -4.417781 -0.056976
C -2.803070 0.978525 -1.414060
C -3.862135 1.716679 0.664323
C -1.648319 -2.674234 1.389075
C -1.341659 -4.702491 0.052720
C -2.187911 -3.828513 0.772780
C -3.592388 -0.191970 -1.398661
C -4.656377 0.547781 0.678306
C -4.521673 -0.409552 -0.354052
H 2.776068 2.560329 -1.503076
H 1.813742 0.339790 -1.878281
H 3.583822 0.244952 -1.703440
H 1.425651 2.329650 1.093593
H 2.625598 -3.794347 0.001536
H 2.504934 -2.635347 1.392238
H -1.895527 3.556452 -1.415280
H -2.504589 3.988394 0.236505
H 0.152262 -1.508001 1.772046
H 0.691777 -5.090383 -0.626608
H -2.079270 1.151153 -2.218986
H -3.965752 2.458037 1.466496
H -2.303350 -1.989282 1.938390
H -1.754778 -5.598325 -0.424191
H -3.484263 -0.933278 -2.198001
H -5.379719 0.387090 1.485819
H -3.259364 -4.044160 0.853665
H 4.454290 2.943831 1.951306
H -5.138404 -1.315729 -0.347688


