%chk=000104802.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104802

0 1
 O   0.2865000       2.536200       1.408500    
 O   -1.134100      0.2465000      -1.602600    
 O   -5.461500      0.2421000      0.2074000    
 O   -5.500300      -2.009400     -4.6500001E-02
 O  -0.3710000      -1.545300       1.529300    
 O  -0.9266000      -2.782200     -0.2915000    
 N  -0.2238000       2.753200     -0.8431000    
 N    2.310500       4.431500      0.5640000    
 N   -2.909300      0.4990000     -0.1239000    
 N    3.491100      -1.601300     -0.5203000    
 N    5.371800      -2.605400      0.5864000    
 N    4.030300      -3.840200     -0.7813000    
 C    3.085100       2.111200      0.3056000    
 C    2.053900       3.164900     -0.1242000    
 C    2.808400      0.7426000     -0.3326000    
 C   0.6283000       2.775100      0.2517000    
 C    3.815700     -0.3169000      0.1026000    
 C   -3.358400     -0.8749000     -0.1237000    
 C   -1.626600       2.438600     -0.7146000    
 C   -2.680400      -1.675700      0.9915000    
 C   -1.827600      0.9461000     -0.8687000    
 C   -4.869400     -0.9608000      1.4000000E-02
 C   -1.260400      -2.074600      0.6486000    
 C    4.267600      -2.600200     -0.2365000    
 H    3.073500       1.998300       1.397800    
 H    4.093100       2.445100      2.9100001E-02
 H    2.139700       3.329000      -1.204400    
 H    1.802100      0.3961000     -6.7699999E-02
 H    2.826900      0.8370000      -1.425600    
 H    4.821600      4.9999999E-03 -0.1935000    
 H    3.785400     -0.4091000       1.195300    
 H   -3.115300      -1.300600      -1.105200    
 H   0.1367000       2.947800      -1.772300    
 H   -2.167500       2.951600      -1.515200    
 H   -1.993500       2.793000      0.2537000    
 H    3.261100       4.741300      0.3653000    
 H    1.694200       5.153600      0.1921000    
 H   -3.417500       1.160000      0.4566000    
 H   -3.217900      -2.608900       1.200100    
 H   -2.685700      -1.106300       1.929700    
 H   -6.435500      0.1622000      0.2917000    
 H   0.5522000      -1.796200       1.312000    
 H    5.907700      -3.453500      0.7362000    
 H    5.689700      -1.773600       1.070800    
 H    4.625300      -4.634300     -0.5718000    
 H    3.249500      -3.995400      -1.409700    


%chk=000104802-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104802

0 1
O 0.584668 4.020469 1.222077
O -1.208633 0.698850 -1.855096
O -4.983908 -0.725001 0.658925
O -5.005629 -2.133656 -1.192393
O 0.016870 -1.254466 0.744211
O -0.152646 -3.445675 0.020316
N -0.131363 2.856598 -0.664350
N 2.764610 4.927151 -0.313410
N -2.537328 0.208547 -0.000178
N 2.650101 -1.382432 0.417974
N 4.599974 -2.725650 0.311884
N 2.450092 -3.701995 0.163919
C 3.077000 2.426920 0.072616
C 2.221234 3.584734 -0.557342
C 2.448075 1.024604 -0.079348
C 0.813021 3.532063 0.068520
C 3.386821 -0.104838 0.393569
C -2.858509 -1.159810 -0.415078
C -1.394661 2.390466 -0.094450
C -2.207253 -2.252025 0.498694
C -1.700102 1.017629 -0.726499
C -4.369285 -1.398815 -0.412812
C -0.671104 -2.313269 0.407019
C 3.222105 -2.596795 0.302749
H 3.217049 2.664584 1.145985
H 4.078621 2.454441 -0.406571
H 2.145764 3.404739 -1.649585
H 1.513272 0.967446 0.506921
H 2.165535 0.830976 -1.132967
H 4.255541 -0.173593 -0.294706
H 3.776018 0.142188 1.405627
H -2.496475 -1.281237 -1.449941
H 0.101158 2.432531 -1.571084
H -2.226793 3.088217 -0.320055
H -1.294483 2.339580 1.004719
H 3.769782 5.021257 -0.482663
H 2.463336 5.300669 0.594659
H -2.842912 0.499136 0.930448
H -2.601859 -3.239843 0.207589
H -2.494530 -2.052241 1.548809
H -5.957647 -0.928833 0.666413
H 1.568827 -1.336057 0.549009
H 5.038456 -3.602496 0.045111
H 5.197583 -1.944926 0.566531
H 2.870466 -4.625482 0.258405
H 1.364741 -3.612461 0.070931


