%chk=000154118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154118

0 1
 O   -1.116900       2.031900     -0.7996000    
 O    1.577800       1.245000       1.019100    
 N   0.1740000      9.7000003E-02  -1.088900    
 N   -3.392400      0.6744000     -0.3214000    
 N    3.527100       1.063700     -0.2334000    
 N   -2.194800      -1.323000     -0.5903000    
 N    7.226400      -1.263400      0.8330000    
 N    9.426100      -1.197000     -7.9800002E-02
 C    1.419900      0.8092000      -1.352000    
 C   -4.635100      1.8900000E-02 -5.9599999E-02
 C   -5.763200       1.034800      0.1130000    
 C   0.1572000      -1.289900      -1.094000    
 C   -2.236800     -2.2000000E-02 -0.5729000    
 C  -0.9941000      0.8135000     -0.8336000    
 C    4.467700       1.319900      0.8338000    
 C    2.152200       1.047900     -4.8700001E-02
 C   -7.108600      0.3918000      0.3468000    
 C    5.790600      0.6535000      0.5888000    
 C  -0.9982000      -1.925200     -0.8503000    
 C    1.420500      -2.053700      -1.369500    
 C    6.050900     -0.6263000       1.032500    
 C   -7.912600      8.3999999E-02 -0.7395000    
 C   -7.516000      0.1202000       1.643600    
 C    6.780500       1.333300     -0.1006000    
 C    8.003400      0.7110000     -0.3256000    
 C    5.013700      -1.398600       1.780200    
 C   -9.155800     -0.5105000     -0.5236000    
 C   -8.759200     -0.4744000       1.859300    
 C    8.174600     -0.5763000      0.1574000    
 C   -9.579000     -0.7897000      0.7757000    
 H    2.032600      0.2908000      -2.094200    
 H    1.188300       1.796700      -1.769500    
 H   -4.880300     -0.6588000     -0.8869000    
 H   -4.550400     -0.5938000      0.8465000    
 H   -5.821000       1.683600     -0.7717000    
 H   -5.532100       1.711800      0.9467000    
 H   -3.374000       1.690600     -0.3119000    
 H    4.031500       1.036200       1.797300    
 H    4.599300       2.407900      0.8830000    
 H    3.896900      0.9626000      -1.174600    
 H   -1.034300      -3.010400     -0.8499000    
 H    2.212600      -1.779500     -0.6662000    
 H    1.268800      -3.134300      -1.265200    
 H    1.768500      -1.881100      -2.393000    
 H   -7.590600      0.2957000      -1.755000    
 H   -6.883600      0.3602000       2.493500    
 H    6.617800       2.341800     -0.4697000    
 H    8.788600       1.231400     -0.8642000    
 H    5.361400      -2.418200       1.981000    
 H    4.803000     -0.9296000       2.746200    
 H    4.089200      -1.480800       1.200700    
 H   -9.794000     -0.7566000      -1.367200    
 H   -9.088800     -0.6925000       2.870900    
 H   -10.54680      -1.253000      0.9438000    
 H    9.954800     -0.9186000     -0.8973000    
 H    9.544500      -2.140000      0.2695000    


%chk=000154118-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154118

0 1
O 0.361698 -0.247112 -1.125469
O 3.375303 -3.209890 0.570718
N 0.337545 -2.585778 -0.812448
N -2.338757 -0.112653 -0.600254
N 2.757409 -0.960383 0.317609
N -2.404291 -2.440995 -0.154674
N 6.471814 1.501057 -0.166954
N 7.140688 3.735490 -0.092679
C 1.772981 -2.610979 -1.201218
C -3.762547 0.087139 -0.308211
C -4.141504 1.578569 -0.475836
C -0.345431 -3.758708 -0.410009
C -1.725290 -1.336551 -0.518619
C -0.283351 -1.328445 -0.839317
C 3.568568 -0.442184 1.439614
C 2.714646 -2.292562 -0.013313
C -5.613529 1.816445 -0.171952
C 4.501129 0.688249 1.035938
C -1.693249 -3.627720 -0.095068
C 0.403921 -5.066124 -0.335916
C 5.627524 0.483855 0.182094
C -6.594769 1.672851 -1.186459
C -6.039282 2.147754 1.139870
C 4.283122 2.003524 1.522523
C 5.139955 3.059269 1.171892
C 5.956013 -0.868360 -0.417004
C -7.966267 1.855201 -0.899104
C -7.409728 2.331526 1.432414
C 6.237899 2.763681 0.310851
C -8.378612 2.185274 0.412835
H 2.032185 -3.608691 -1.577354
H 1.904882 -1.860120 -1.999104
H -4.375863 -0.544859 -0.980181
H -3.984363 -0.255055 0.721653
H -3.909668 1.891918 -1.512710
H -3.509083 2.185973 0.200839
H -1.737245 0.669693 -0.873408
H 4.119776 -1.311443 1.842083
H 2.889511 -0.085100 2.239228
H 2.130515 -0.325353 -0.204080
H -2.257715 -4.507167 0.225210
H 1.326724 -4.981637 0.266728
H -0.245074 -5.825938 0.129040
H 0.690584 -5.445535 -1.336593
H -6.281703 1.422221 -2.207992
H -5.292319 2.266782 1.934934
H 3.430963 2.197579 2.185838
H 4.976406 4.074243 1.548514
H 7.025584 -0.902331 -0.677145
H 5.710043 -1.705320 0.258784
H 5.377447 -1.027680 -1.347692
H -8.710560 1.743935 -1.695818
H -7.720630 2.591094 2.450777
H -9.441412 2.329748 0.637022
H 7.057720 4.701461 0.207769
H 7.901484 3.452241 -0.705693


