%chk=000088846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088846

0 1
 O  -0.8484000      7.5099997E-02  0.9890000    
 O    3.281300      -1.497600     -0.7040000    
 N   -4.071600       1.446700     -0.1071000    
 N    3.027400      0.7588000     -0.1648000    
 N   0.9502000       1.542200      0.7037000    
 N    3.940100       3.420700      7.5499997E-02
 C   -3.144400      0.6259000      0.6573000    
 C   -5.447600       1.236600      0.3498000    
 C   -3.964400       1.153900      -1.538500    
 C   -1.712600      0.8769000      0.2118000    
 C    1.182300     -0.7903000      0.1437000    
 C   0.4688000      0.2602000      0.5986000    
 C   -5.592300       1.531300       1.828600    
 C   -4.873300       2.047300      -2.357100    
 C    2.600300     -0.5614000     -0.2890000    
 C   0.5983000      -2.139600      5.0799999E-02
 C    2.171300       1.729800      0.3276000    
 C    4.307300       1.126700     -0.5242000    
 C  -4.5800000E-02  -2.539100      -1.118700    
 C   0.6919000      -3.013500       1.132300    
 C    2.732300       3.115200      0.4240000    
 C  -0.5984000      -3.816800      -1.207100    
 C   0.1395000      -4.291300       1.044000    
 C    4.713600       2.395400     -0.4004000    
 C  -0.5057000      -4.692900     -0.1257000    
 H   -3.376800     -0.4445000      0.5734000    
 H   -3.172100      0.8633000       1.726600    
 H   -5.794600      0.2163000      0.1427000    
 H   -6.129500       1.926800     -0.1576000    
 H   -4.175800      0.1001000      -1.759500    
 H   -2.963800       1.378100      -1.916300    
 H   -1.552400      0.5920000     -0.8323000    
 H   -1.480400       1.943000      0.3354000    
 H   -5.171700      0.7406000       2.457500    
 H   -5.132300       2.487400       2.101200    
 H   -6.655400       1.598300       2.086700    
 H   -5.925800       1.757500      -2.280500    
 H   -4.773200       3.100500      -2.072500    
 H   -4.607700       1.970800      -3.417900    
 H    4.967500      0.3578000     -0.9080000    
 H  -0.1262000      -1.867000      -1.969600    
 H    1.192200      -2.714800       2.050200    
 H    2.047000       3.883500      0.8165000    
 H   -1.101000      -4.129400      -2.117700    
 H   0.2117000      -4.973600       1.885900    
 H    5.723600       2.667700     -0.6879000    
 H  -0.9359000      -5.687700     -0.1944000    


%chk=000088846-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088846

0 1
O -0.982450 -0.196813 0.025259
O 3.678907 -1.510883 -0.189551
N -4.354398 1.396561 -0.208448
N 3.019844 0.741423 -0.150494
N 0.710663 1.406770 -0.056493
N 3.742912 3.475504 -0.194620
C -3.344286 0.324645 -0.029380
C -5.573334 1.216868 0.623206
C -4.646161 1.678122 -1.641142
C -1.942431 0.947439 -0.041826
C 1.280513 -1.012927 -0.041032
C 0.366006 0.083211 -0.018261
C -5.332779 1.528701 2.112460
C -5.121549 3.122206 -1.888648
C 2.697896 -0.710996 -0.134335
C 0.850621 -2.436646 0.014006
C 2.013018 1.726501 -0.114021
C 4.361120 1.114930 -0.204589
C 1.568132 -3.438859 -0.703081
C -0.270548 -2.845816 0.793755
C 2.458723 3.099803 -0.143762
C 1.167054 -4.789850 -0.655704
C -0.658113 -4.200105 0.851062
C 4.697174 2.457660 -0.222162
C 0.053746 -5.181226 0.122759
H -3.410781 -0.462849 -0.814923
H -3.502883 -0.178649 0.940584
H -5.994009 0.185096 0.514975
H -6.343974 1.909866 0.240089
H -5.396001 0.955458 -2.051802
H -3.713278 1.513165 -2.212538
H -1.748700 1.523927 -0.963494
H -1.788463 1.612883 0.823685
H -4.575432 0.857425 2.557248
H -4.978036 2.567337 2.230009
H -6.268081 1.404239 2.689540
H -6.068458 3.342462 -1.363068
H -4.361120 3.838679 -1.532352
H -5.292633 3.291774 -2.968142
H 5.067567 0.282377 -0.229638
H 2.446164 -3.156862 -1.288136
H -0.835983 -2.100402 1.357386
H 1.686620 3.874579 -0.120806
H 1.731139 -5.538922 -1.222617
H -1.517246 -4.489757 1.466840
H 5.742219 2.771769 -0.260841
H -0.251410 -6.232922 0.165043


