%chk=000159999.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159999

0 1
 O   -1.189800       3.089200     -0.2582000    
 O   -3.582200       2.964800     -0.3776000    
 O    3.419000      -1.686000     -0.4133000    
 O    4.824500      0.5676000      0.2900000    
 N   -1.511300      -3.083900     -5.2000000E-03
 C  -0.7408000      -1.863200      0.3470000    
 C   -1.539700     -0.5682000      0.1475000    
 C   0.5646000      -1.762700     -0.4754000    
 C   -2.956100     -0.6172000      7.5800002E-02
 C  -0.8430000      0.6717000      8.5800000E-02
 C   -2.818200      -3.063200      0.6704000    
 C   -3.678400      -1.935900      0.1091000    
 C    1.337500     -0.5133000     -0.1151000    
 C   0.6354000      0.6778000      0.1733000    
 C   -1.630900       1.806400     -0.1001000    
 C   -3.695200      0.5572000     -9.7999997E-02
 C   -3.006700       1.745600     -0.1847000    
 C  -0.8028000      -4.313700      0.3659000    
 C    2.740600     -0.5457000     -9.3099996E-02
 C    1.392000       1.801200      0.5491000    
 C    3.463500      0.5894000      0.2570000    
 C    2.789300       1.758700      0.5874000    
 C   -2.422800       3.812800     -0.4143000    
 C    3.767300      -1.866600      -1.783200    
 C    5.484000       1.777200      0.6599000    
 H  -0.4869000      -1.899400       1.417900    
 H   0.3500000      -1.741200      -1.552000    
 H    1.186900      -2.640100     -0.2770000    
 H   -2.695500      -2.949100       1.756200    
 H   -3.355600      -4.005400      0.5043000    
 H   -4.585600      -1.848200      0.7189000    
 H   -3.987300      -2.183100     -0.9147000    
 H   -4.777100      0.5339000     -0.1776000    
 H  -0.5284000      -4.329100       1.426800    
 H   0.1006000      -4.453700     -0.2346000    
 H   -1.424900      -5.193300      0.1625000    
 H   0.9157000       2.733600      0.8379000    
 H    3.280500       2.678500      0.8868000    
 H   -2.401600       4.339700      -1.375100    
 H   -2.500900       4.553000      0.3902000    
 H    4.269400      -2.832700      -1.884200    
 H    4.454600      -1.080600      -2.111800    
 H    2.874100      -1.870300      -2.415700    
 H    5.246900       2.067300       1.689100    
 H    5.284600       2.581400     -5.6699999E-02
 H    6.560700       1.580600      0.6252000    


%chk=000159999-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159999

0 1
O -1.282374 3.177597 -0.005826
O -3.665533 3.074809 -0.111752
O 3.301641 -1.775091 -0.528260
O 4.811542 0.486491 0.130936
N -1.571057 -3.104505 0.045123
C -0.794257 -1.864728 0.320035
C -1.637574 -0.593048 0.154058
C 0.455453 -1.759835 -0.584742
C -3.050779 -0.638250 0.084444
C -0.918251 0.657252 0.107925
C -2.890630 -3.072270 0.723412
C -3.769381 -1.977678 0.103941
C 1.256662 -0.522338 -0.225221
C 0.562795 0.674698 0.133480
C -1.712344 1.813374 0.014434
C -3.816935 0.559486 -0.019883
C -3.117955 1.761928 -0.053138
C -0.821709 -4.330826 0.396381
C 2.669263 -0.546890 -0.238902
C 1.312565 1.831066 0.463160
C 3.411807 0.619242 0.122910
C 2.721453 1.805184 0.461794
C -2.498011 3.948427 -0.368913
C 4.247311 -1.787091 -1.662969
C 5.593405 1.638015 0.588135
H -0.427834 -1.879820 1.386037
H 0.112319 -1.713033 -1.638623
H 1.103964 -2.642842 -0.486654
H -2.783879 -2.895691 1.825540
H -3.370864 -4.059420 0.592827
H -4.720354 -1.893301 0.664521
H -4.024348 -2.276452 -0.931850
H -4.908933 0.532170 -0.070044
H -0.507562 -4.358998 1.470878
H 0.082416 -4.430261 -0.225441
H -1.459540 -5.210558 0.200697
H 0.794678 2.756047 0.725477
H 3.272124 2.710046 0.735089
H -2.458394 4.194721 -1.448549
H -2.562895 4.837993 0.275041
H 4.573949 -2.834770 -1.751915
H 5.109507 -1.129807 -1.461721
H 3.737618 -1.471998 -2.594561
H 5.318800 1.921266 1.622339
H 5.461484 2.508938 -0.082971
H 6.640636 1.302551 0.559722


