%chk=000149107.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149107

0 1
 O   -5.310200       2.510100      0.7810000    
 N   -1.239700      -2.577600      3.1399999E-02
 N   0.6162000      0.4115000      -1.264900    
 C  -0.9690000      -1.580500      -1.032700    
 C   0.2154000     -0.7460000     -0.6601000    
 C    1.130800      -1.058900      0.3231000    
 C   -2.230600     -0.7445000      -1.232400    
 C   0.9765000      -2.286200       1.151700    
 C  -1.7400000E-02  -3.263100      0.4873000    
 C    2.115100     -3.4899998E-02  0.3399000    
 C   -2.578700      4.2599998E-02  2.7899999E-02
 C    1.768700      0.8749000     -0.6654000    
 C   -3.822500      0.9022000     -0.1862000    
 C    3.271400      0.2111000       1.107100    
 C    2.526500       2.019600     -0.9386000    
 C   -4.156900       1.725000       1.049900    
 C    4.036500       1.352900      0.8442000    
 C    3.667900       2.241900     -0.1633000    
 H  -0.7411000      -2.113900      -1.964400    
 H   -3.071200      -1.394800      -1.507600    
 H   -2.090700     -5.0900001E-02  -2.071400    
 H    1.943300      -2.783100       1.288600    
 H   0.6041000      -1.999600       2.142900    
 H   0.4574000      -3.770900     -0.3620000    
 H  -0.2900000      -4.038600       1.211600    
 H   -1.906700      -3.265500     -0.3174000    
 H   0.1427000      0.8664000      -2.033300    
 H   -2.764700     -0.6348000      0.8697000    
 H   -1.755100      0.7020000      0.3225000    
 H   -4.681200      0.2712000     -0.4473000    
 H   -3.675800       1.576900      -1.039200    
 H    3.571800     -0.4733000       1.895400    
 H    2.241700       2.712400      -1.723400    
 H   -3.331900       2.396800       1.307600    
 H   -4.368500       1.075900       1.905500    
 H    4.928900       1.546900       1.433400    
 H    4.277300       3.122400     -0.3508000    
 H   -5.499700       3.023100       1.585100    


%chk=000149107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149107

0 1
O -5.551575 2.448957 0.776123
N -1.179615 -2.588574 0.008338
N 0.671218 0.404719 -1.315474
C -0.966487 -1.569531 -1.053286
C 0.260743 -0.776668 -0.673557
C 1.159894 -1.089921 0.342664
C -2.242911 -0.694641 -1.213892
C 0.986881 -2.321914 1.196583
C 0.040202 -3.302897 0.461830
C 2.177048 -0.055902 0.348744
C -2.609750 0.131657 0.036363
C 1.845171 0.871203 -0.707006
C -3.924003 0.921126 -0.150133
C 3.337797 0.185034 1.130647
C 2.631027 2.008328 -0.988868
C -4.289339 1.749574 1.083756
C 4.126350 1.320097 0.853740
C 3.777236 2.222555 -0.193851
H -0.774960 -2.051737 -2.050294
H -3.087710 -1.365977 -1.476225
H -2.111176 -0.022206 -2.088565
H 1.958752 -2.818723 1.386508
H 0.551610 -2.061369 2.181685
H 0.601366 -3.768217 -0.386452
H -0.273573 -4.114644 1.143038
H -1.939605 -3.231687 -0.247207
H 0.182929 0.857174 -2.084766
H -2.688822 -0.558058 0.898195
H -1.780392 0.829029 0.270726
H -4.759925 0.226700 -0.365670
H -3.844651 1.605288 -1.018405
H 3.616594 -0.499929 1.939671
H 2.368155 2.704845 -1.793329
H -3.479309 2.478324 1.306550
H -4.412184 1.084032 1.966204
H 5.023864 1.517091 1.450987
H 4.410253 3.096522 -0.384425
H -5.820507 2.999040 1.554453


