%chk=000149073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149073

0 1
 O   -4.032100     -0.5389000      0.9804000    
 O   -5.204300       2.242400       1.629600    
 O   -6.166400      -2.313900      0.6485000    
 O    1.554400      -1.170000      -2.764300    
 O    5.180100      0.7971000     -0.2912000    
 N   -2.196400     -0.1227000     -0.4633000    
 N  -0.3066000       1.390000     -0.2213000    
 N   -1.226300      -1.579100      -1.873000    
 N    1.601500       2.691600     -0.1332000    
 N    1.639400      0.7560000      -1.477700    
 N    2.973000      -2.456000       2.271700    
 C   -3.217100      0.4843000      0.3831000    
 C   -5.393400       1.363000      0.5231000    
 C   -4.162200       1.424000     -0.3517000    
 C   -5.400300     -8.1000000E-02   1.013800    
 C   -6.226900     -0.9991000      0.1240000    
 C  -0.9347000      0.3119000     -0.6974000    
 C   -2.326000      -1.279400      -1.202400    
 C  -0.3536000     -0.5773000      -1.553400    
 C    1.006600       1.569400     -0.6519000    
 C    1.012700     -0.3838000      -1.996600    
 C    2.946300       3.057300     -0.4511000    
 C    3.819100       3.049300      0.8007000    
 C    3.835200       1.686800       1.501000    
 C    4.354700      0.5815000      0.5932000    
 C    3.838400     -0.8058000      0.7857000    
 C    3.761000      -1.654100     -0.2874000    
 C    3.449100      -1.214200       2.029000    
 C    3.276100      -2.940200     -7.7399999E-02
 C    2.898800      -3.288800       1.209500    
 H   -2.696500      0.9972000       1.200100    
 H   -6.310000       1.665900      1.0500000E-02
 H   -3.735700       2.426700     -0.4532000    
 H   -4.393900       1.040800      -1.352500    
 H   -5.738200     -0.1643000       2.053000    
 H   -7.273200     -0.6795000      9.6299998E-02
 H   -5.830600      -1.029400     -0.8960000    
 H   -3.241000      -1.855900      -1.217700    
 H   -4.479400       1.904400       2.181600    
 H  -0.7364000       2.055300      0.4129000    
 H   -6.701100      -2.879900      6.5800004E-02
 H    1.080400       3.293100      0.4978000    
 H    2.936700       4.076900     -0.8544000    
 H    3.389000       2.439600      -1.239000    
 H    4.839600       3.342500      0.5263000    
 H    3.452600       3.801000       1.510900    
 H    2.827500       1.446400       1.855200    
 H    4.495200       1.737400       2.374400    
 H    4.065900      -1.354000      -1.284900    
 H    3.508000     -0.5839000       2.908900    
 H    3.195400      -3.646900     -0.8953000    
 H    2.513500      -4.279800       1.425900    


%chk=000149073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149073

0 1
O -4.776944 -0.191647 1.428674
O -6.282300 2.422861 1.413277
O -5.929070 -2.026628 -0.524768
O 1.296079 -1.672194 -1.728440
O 4.851267 0.862395 -1.089090
N -2.595357 -0.183686 0.417585
N -0.704319 1.450419 0.179539
N -1.583014 -1.994682 -0.550037
N 1.258384 2.744156 -0.103129
N 1.269707 0.508680 -0.857981
N 4.234447 -2.650715 2.171149
C -3.606611 0.633637 1.138491
C -5.665307 1.692121 0.303546
C -4.115688 1.848995 0.297458
C -5.858060 0.167119 0.455307
C -5.777536 -0.609815 -0.863430
C -1.323830 0.214484 0.026884
C -2.696116 -1.555136 0.050569
C -0.701969 -0.894749 -0.574047
C 0.639084 1.519041 -0.283879
C 0.665332 -0.771099 -1.110545
C 2.603941 3.036771 -0.638531
C 3.734194 2.974746 0.416681
C 3.907546 1.578929 1.045767
C 4.386687 0.524248 0.037532
C 4.295039 -0.918908 0.428771
C 4.209471 -1.912920 -0.581058
C 4.298199 -1.343878 1.784604
C 4.131341 -3.266117 -0.199083
C 4.148457 -3.588374 1.178066
H -3.179959 0.926951 2.115708
H -6.137850 2.110648 -0.598396
H -3.848499 2.822427 0.740950
H -3.720400 1.798764 -0.732050
H -6.798942 -0.085189 0.970663
H -6.609995 -0.262252 -1.513463
H -4.816966 -0.422239 -1.387506
H -3.601438 -2.121527 0.256648
H -6.052619 1.962759 2.262769
H -1.207896 2.282412 0.491494
H -5.847390 -2.578410 -1.342832
H 0.812556 3.448274 0.486368
H 2.581913 4.043078 -1.098770
H 2.802127 2.297167 -1.430092
H 4.671308 3.261292 -0.096430
H 3.552408 3.720489 1.216709
H 2.962025 1.230847 1.502513
H 4.647962 1.630923 1.871704
H 4.166599 -1.606007 -1.628995
H 4.369047 -0.618927 2.604582
H 4.032117 -4.056209 -0.948651
H 4.078736 -4.629423 1.513791


