%chk=000149736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149736

0 1
 O    3.005000       1.721600     -0.8672000    
 N    6.435600      -1.082100      0.4016000    
 N    2.848600     -0.5542000     -0.4511000    
 N   -3.179300       1.345300      0.4753000    
 C   -1.351200     -4.6900000E-02 -0.2376000    
 C    5.037300     -0.7426000      0.6312000    
 C    4.245300     -0.8597000     -0.6628000    
 C   -1.867500       1.177300      0.2196000    
 C   0.8903000      0.8826000     -0.2995000    
 C   -3.611000     -0.9348000     -0.1599000    
 C   2.3600001E-02 -0.1886000     -0.4948000    
 C   -2.248000      -1.103700     -0.4238000    
 C   -4.038900      0.3241000      0.2943000    
 C    2.311100      0.7332000     -0.5683000    
 C  -0.9795000       2.233300      0.4070000    
 C   0.3873000       2.096000      0.1524000    
 C   -4.534700      -1.979500     -0.3381000    
 C    7.196600      -1.008500       1.650400    
 C    7.024200     -0.1948000     -0.6036000    
 C   -5.394700      0.4986000      0.5588000    
 C   -5.884800      -1.779100     -6.6600002E-02
 C   -6.315400     -0.5374000      0.3827000    
 H    4.933400      0.2694000       1.045400    
 H    4.604400      -1.429900       1.369800    
 H    4.293100      -1.880000      -1.059300    
 H    4.598700     -0.1740000      -1.437800    
 H   0.3791000      -1.142100     -0.8783000    
 H   -1.882400      -2.067100     -0.7772000    
 H    2.265700      -1.322400     -0.1368000    
 H   -1.349300       3.193800      0.7615000    
 H    1.039100       2.949700      0.3185000    
 H   -4.206500      -2.955200     -0.6895000    
 H    6.776800      -1.691300       2.397600    
 H    7.202500      3.4000000E-03   2.071900    
 H    8.234000      -1.322200       1.489200    
 H    6.664500     -0.4229000      -1.611400    
 H    6.846500      0.8644000     -0.3844000    
 H    8.109900     -0.3442000     -0.6545000    
 H   -5.756900       1.462500      0.9120000    
 H   -6.595800      -2.587600     -0.2051000    
 H   -7.366800     -0.3704000      0.5975000    


%chk=000149736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149736

0 1
O 2.991129 1.708533 -0.990998
N 6.604191 -0.959882 0.344983
N 2.899955 -0.555146 -0.455980
N -3.291899 1.395432 0.377956
C -1.445919 -0.149778 -0.255021
C 5.175616 -0.658789 0.590926
C 4.332523 -0.781693 -0.703131
C -1.966406 1.164009 0.123184
C 0.833214 0.782411 -0.371274
C -3.742923 -1.004619 -0.114387
C -0.036889 -0.302867 -0.492608
C -2.367249 -1.218365 -0.371206
C -4.165561 0.343020 0.267127
C 2.316333 0.690968 -0.630803
C -1.043700 2.265699 0.219662
C 0.309154 2.082702 -0.027670
C -4.731398 -2.046395 -0.210913
C 7.326683 -1.309233 1.585995
C 7.300842 0.107969 -0.405960
C -5.558737 0.581136 0.536680
C -6.070159 -1.777533 0.056560
C -6.485885 -0.452128 0.434264
H 5.019363 0.361203 1.023692
H 4.797828 -1.390798 1.331379
H 4.483803 -1.786104 -1.138128
H 4.648912 -0.026372 -1.441015
H 0.327531 -1.287926 -0.812830
H -2.014988 -2.217048 -0.659988
H 2.352683 -1.306363 -0.034191
H -1.455134 3.242854 0.489215
H 1.018264 2.915107 0.018788
H -4.411927 -3.055336 -0.499143
H 6.831806 -2.164715 2.079684
H 7.381453 -0.467345 2.322142
H 8.360731 -1.610393 1.338966
H 6.806346 0.287849 -1.374928
H 7.333854 1.079822 0.148164
H 8.339109 -0.207284 -0.612508
H -5.849675 1.597086 0.820383
H -6.818220 -2.574146 -0.019019
H -7.544754 -0.261539 0.641049


