%chk=000091466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091466

0 1
 O   -3.002900      -2.272100      0.2733000    
 N    2.130400      0.2918000      0.5156000    
 N   -1.367900     -0.6363000      1.0500000E-02
 C    1.388800      7.4800000E-02 -0.7475000    
 C   0.2118000       1.073600     -0.9091000    
 C   0.8459000      -1.366300     -0.8509000    
 C  -0.9574000      0.7849000      8.2000002E-02
 C  -0.2897000      -1.615100      0.1470000    
 C   0.7621000       2.507200     -0.8192000    
 C    1.977500      -2.385500     -0.6722000    
 C    2.650700       1.666600      0.6061000    
 C    3.249100     -0.6578000      0.6467000    
 C   -2.120200       1.760700     -0.1432000    
 C    1.550700       2.716400      0.4667000    
 C    2.785600      -2.111600      0.5907000    
 C   -3.356200       1.299800      0.6013000    
 C   -2.683700      -1.086200      0.1495000    
 C   -3.774500     -4.4799998E-02  5.2900001E-02
 H    2.080200      0.2324000      -1.589400    
 H  -0.1866000      0.9434000      -1.926200    
 H   0.4336000      -1.501900      -1.860900    
 H  -0.6094000      0.9205000       1.114400    
 H  -0.6804000      -2.628800      4.6999999E-03
 H   5.4099999E-02  -1.554800       1.185900    
 H  -3.0400001E-02   3.256300     -0.9044000    
 H    1.429100       2.682300      -1.674100    
 H    2.646700      -2.329400      -1.540500    
 H    1.579700      -3.406600     -0.6485000    
 H    3.411900       1.841800     -0.1661000    
 H    3.138000       1.812100       1.578000    
 H    3.754700     -0.5008000       1.607500    
 H    3.994400     -0.4876000     -0.1418000    
 H   -2.348400       1.843300      -1.213500    
 H   -1.851200       2.762400      0.2089000    
 H    1.999900       3.716400      0.4616000    
 H   0.8818000       2.677200       1.334200    
 H    2.188500      -2.345700       1.479900    
 H    3.657500      -2.775400      0.6176000    
 H   -4.166600       2.025000      0.4697000    
 H   -3.147300       1.229800       1.675500    
 H   -4.064100      3.7999999E-02  -1.001300    
 H   -4.646200     -0.4062000      0.6104000    


%chk=000091466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091466

0 1
O -2.950098 -2.321098 -0.195829
N 2.159849 0.306781 0.482415
N -1.382507 -0.616808 0.072112
C 1.362469 0.055502 -0.757792
C 0.185983 1.067803 -0.882908
C 0.824990 -1.400971 -0.796133
C -0.938205 0.805039 0.172325
C -0.293777 -1.602684 0.248467
C 0.736365 2.514993 -0.835230
C 1.968258 -2.426328 -0.609748
C 2.693918 1.694459 0.527053
C 3.283533 -0.659395 0.625097
C -2.110533 1.797313 0.006622
C 1.579744 2.750185 0.437195
C 2.797791 -2.117922 0.656394
C -3.407648 1.264886 0.640980
C -2.685709 -1.079152 -0.079878
C -3.807935 -0.038087 -0.074667
H 2.023871 0.201292 -1.657704
H -0.276922 0.895251 -1.877784
H 0.369970 -1.550584 -1.796525
H -0.496509 0.924664 1.184092
H -0.744320 -2.604020 0.150124
H 0.118361 -1.487381 1.269640
H -0.079122 3.256182 -0.914720
H 1.385299 2.667479 -1.722595
H 2.636962 -2.384974 -1.494375
H 1.555505 -3.452677 -0.568275
H 3.418164 1.865301 -0.315549
H 3.259536 1.812382 1.470774
H 3.824153 -0.415225 1.559399
H 4.015020 -0.539805 -0.220064
H -2.290660 1.985485 -1.072013
H -1.823517 2.763580 0.458870
H 2.033201 3.759559 0.417087
H 0.945628 2.695493 1.342249
H 2.194936 -2.284447 1.568080
H 3.672723 -2.792959 0.716976
H -4.215574 2.015742 0.558612
H -3.252024 1.069991 1.720301
H -4.091506 0.174833 -1.124898
H -4.680060 -0.525880 0.393626


