%chk=000057612.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057612

0 1
 O    4.332100      -1.067200       1.993800    
 O    2.854400      -2.809500       2.316200    
 O  -0.6108000      -3.084000      -1.622100    
 O    6.248600       3.319800      -1.585300    
 O    7.104100       2.879400      0.3879000    
 N    2.803000      -1.543900      0.3498000    
 N   -7.670700       1.413500      0.3981000    
 N   -5.988100     -0.1038000     -5.3599998E-02
 N   -5.533500       2.175900      0.4359000    
 N    6.281100       2.643700     -0.5291000    
 C    1.729800      -2.151400     -0.3961000    
 C    3.551900     -0.4743000     -9.0200000E-02
 C   0.3835000      -1.502200     -9.3999997E-02
 C    4.461400     -0.2079000      0.9129000    
 C    3.269500      -1.903400       1.603800    
 C  -0.7735000      -2.139800     -0.8526000    
 C    3.504700      0.2606000      -1.256400    
 C   -2.149700      -1.602000     -0.6430000    
 C    5.380000      0.8148000      0.8050000    
 C   -7.884900       2.790900      0.7221000    
 C    5.356300       1.577600     -0.3661000    
 C    4.426400       1.302600      -1.388100    
 C   -4.687200     -0.6108000     -0.2540000    
 C   -6.339900       1.157100      0.2558000    
 C   -6.444400       3.317100      0.7541000    
 C   -2.320700     -0.5503000      0.2281000    
 C   -3.195200      -2.178500      -1.327600    
 C   -3.606800     -4.7800001E-02  0.4252000    
 C   -4.481400      -1.676100      -1.130400    
 H    1.956800      -2.123500      -1.468000    
 H    1.685400      -3.210000     -0.1110000    
 H   0.1875000      -1.587800      0.9813000    
 H   0.4352000     -0.4412000     -0.3646000    
 H    2.789400      5.4900002E-02  -2.043700    
 H    6.080200      0.9958000       1.613400    
 H   -8.375500       2.903100       1.693300    
 H   -8.479700       3.295000     -4.5100000E-02
 H    4.397000       1.888900      -2.303800    
 H   -6.301500       4.114000      1.6600000E-02
 H   -6.195000       3.716800       1.742700    
 H   -1.513200     -8.8699996E-02  0.7843000    
 H   -3.056900      -3.008000      -2.014200    
 H   -8.417900      0.7386000      0.2920000    
 H   -6.728200     -0.7453000     -0.3244000    
 H   -3.724900      0.7497000       1.151300    
 H   -5.314800      -2.123200      -1.666400    


%chk=000057612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057612

0 1
O 4.368494 -0.826445 2.156583
O 2.705259 -2.425560 2.741183
O -0.456826 -2.966901 -1.532953
O 6.775021 2.817455 -2.093676
O 7.560425 2.659482 0.044097
N 2.867010 -1.478903 0.547456
N -7.979119 1.409743 0.039751
N -6.051354 0.124448 -0.572746
N -5.914537 2.072174 0.869331
N 6.737893 2.328927 -0.896976
C 1.723001 -2.163153 -0.081562
C 3.712005 -0.531585 -0.043782
C 0.417972 -1.352983 0.060519
C 4.643846 -0.136028 0.957199
C 3.221135 -1.684233 1.897081
C -0.712579 -1.977182 -0.774809
C 3.768480 0.013714 -1.340712
C -2.076100 -1.395713 -0.683042
C 5.651224 0.793975 0.729749
C -8.345378 2.513618 0.964839
C 5.691958 1.332262 -0.583789
C 4.780908 0.960869 -1.603333
C -4.723321 -0.341079 -0.583098
C -6.585132 1.202356 0.141090
C -6.924303 3.046799 1.393547
C -2.388922 -0.269143 0.128684
C -3.122994 -1.984723 -1.450239
C -3.687248 0.264209 0.183931
C -4.423201 -1.471792 -1.402054
H 1.951825 -2.347936 -1.143963
H 1.611580 -3.147665 0.401502
H 0.120261 -1.303838 1.124810
H 0.574396 -0.306921 -0.272153
H 3.061429 -0.280666 -2.120845
H 6.371174 1.103138 1.489583
H -8.922546 2.134855 1.831462
H -8.944643 3.285531 0.452529
H 4.882415 1.423082 -2.588215
H -6.722601 4.040548 0.952999
H -6.826617 3.139416 2.489282
H -1.609039 0.211832 0.729290
H -2.880631 -2.850047 -2.075731
H -8.632714 0.644670 -0.134882
H -6.693618 -0.349138 -1.209949
H -3.931866 1.139419 0.791130
H -5.218522 -1.941690 -1.995315


