%chk=000027259.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027259

0 1
 O    1.641800      -2.442100     -3.2800000E-02
 N  -0.7614000      -1.137000     -0.1348000    
 N   0.4203000     -0.4767000     -0.1101000    
 N    5.192500       1.031100      7.1300000E-02
 C   -3.245100     -0.7934000     -0.1780000    
 C   -3.230700       1.452500     -5.4200001E-02
 C   -1.690300       1.159700     -0.1024000    
 C   -3.825000      0.3766000     -0.9806000    
 C   -3.790900     -0.5234000       1.236000    
 C   -3.865300       1.017000       1.287100    
 C   -1.788900     -0.3577000     -0.1495000    
 C   -3.537600      -2.163600     -0.7373000    
 C  -0.9809000       1.726400      -1.330700    
 C  -0.9763000       1.620700       1.171900    
 C    1.588000      -1.215100     -5.8600001E-02
 C    2.848300     -0.4292000     -1.2300000E-02
 C    3.957300     -0.9837000      0.5810000    
 C    2.868900      0.8291000     -0.5654000    
 C    5.107500     -0.2115000      0.5972000    
 C    4.068000       1.520200     -0.4977000    
 H   -3.488300       2.478700     -0.3282000    
 H   -4.920600      0.3854000      -1.004300    
 H   -3.440900      0.4382000      -2.004800    
 H   -3.130000     -0.9138000       2.017700    
 H   -4.788200     -0.9533000       1.381000    
 H   -4.915800       1.331100       1.323400    
 H   -3.376800       1.427600       2.174000    
 H   -3.107200      -2.945300     -0.1021000    
 H   -4.615500      -2.341100     -0.8102000    
 H   -3.106500      -2.281100      -1.737400    
 H  -0.7815000      0.9685000      -2.096500    
 H   -1.609000       2.488200      -1.808900    
 H  -4.2900000E-02   2.241700      -1.103200    
 H   -1.054600      0.8897000       1.985000    
 H   8.5100003E-02   1.863400       1.058600    
 H   -1.424700       2.556900       1.528400    
 H   0.4640000      0.5189000     -0.1564000    
 H    3.957000      -1.972000       1.025700    
 H    2.039200       1.287500      -1.084300    
 H    6.020500     -0.5843000       1.050100    
 H    4.161500       2.513700     -0.9240000    


%chk=000027259-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027259

0 1
O 1.629629 -2.535155 -0.034925
N -0.738836 -1.012176 -0.164567
N 0.539128 -0.449580 -0.088835
N 5.534486 0.759621 0.132170
C -3.191740 -0.820015 -0.203745
C -3.482604 1.459315 -0.051316
C -1.909830 1.333139 -0.108795
C -3.948472 0.303221 -0.982982
C -3.779129 -0.597800 1.244065
C -4.019609 0.952136 1.321955
C -1.780448 -0.217862 -0.162003
C -3.282628 -2.255983 -0.716718
C -1.377040 2.000313 -1.413661
C -1.209827 1.993247 1.114402
C 1.668882 -1.275245 -0.049824
C 2.979599 -0.518746 0.000344
C 4.099155 -1.177329 0.566447
C 3.172884 0.787187 -0.520076
C 5.338864 -0.505693 0.616986
C 4.455004 1.376747 -0.432685
H -3.823329 2.474118 -0.319343
H -5.043118 0.154938 -0.961084
H -3.625902 0.397374 -2.033669
H -3.088972 -0.971960 2.020243
H -4.725566 -1.161319 1.338843
H -5.097128 1.182408 1.406316
H -3.520333 1.423748 2.184727
H -2.684757 -2.935114 -0.084811
H -4.332480 -2.603349 -0.715987
H -2.885294 -2.338823 -1.743958
H -1.911242 1.644268 -2.310080
H -1.509478 3.096642 -1.348091
H -0.300816 1.800728 -1.575163
H -1.283402 1.377986 2.027132
H -0.135759 2.189763 0.928590
H -1.675201 2.974796 1.323261
H 0.660905 0.561515 0.038882
H 3.984147 -2.197292 0.944817
H 2.369269 1.334932 -1.026101
H 6.219191 -0.986218 1.057583
H 4.636799 2.380014 -0.834645


