%chk=000125912.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125912

0 1
 O    4.443900      0.2152000      0.9431000    
 O    4.941600      -1.395800      -1.786400    
 O    5.807500       1.147700      -2.247700    
 O    6.324000       2.016400       2.037300    
 N    2.216900     -0.3158000      0.3161000    
 N   -2.364400     -0.4481000      0.8472000    
 N   0.3827000      0.8545000      0.8017000    
 N    1.230100      -2.505300     -4.8500001E-02
 N   -1.190100      -2.449200      0.2609000    
 C    3.631700     -0.6064000      7.7299997E-02
 C    4.077300     -0.3431000      -1.362100    
 C    4.827300      0.9707000      -1.247600    
 C    5.436900      0.8744000      0.1403000    
 C   -3.666300      -1.092400      0.8636000    
 C   -4.663800     -0.2245000       1.655800    
 C   -4.216500      -1.204500     -0.5721000    
 C    5.775700       2.224100      0.7474000    
 C   -5.276500      0.6064000      0.5700000    
 C   -5.024200      5.2000001E-02 -0.6896000    
 C    1.176500      -1.198000      0.2480000    
 C   4.8400000E-02 -0.4529000      0.5519000    
 C    1.690000      0.9030000      0.6523000    
 C   -1.190200      -1.114100      0.5569000    
 C   -6.040900       1.753100      0.7055000    
 C   -5.531200      0.6326000      -1.840000    
 C   -6.546300       2.352300     -0.4502000    
 C   -6.293400       1.795900      -1.713900    
 C  -6.6000000E-03  -3.047800     -1.7000001E-02
 H    3.793700      -1.648500      0.3766000    
 H    3.256300     -0.2964000      -2.083700    
 H    4.116600       1.805100      -1.291900    
 H    6.335600      0.2446000      0.1447000    
 H   -3.577000      -2.076500       1.339000    
 H   -4.182500      0.3889000       2.423800    
 H   -5.441400     -0.8469000       2.112400    
 H   -4.883100      -2.069100     -0.6634000    
 H   -3.435000      -1.259000      -1.335900    
 H    4.884800       2.850300      0.8611000    
 H    6.510300       2.760700      0.1402000    
 H   -2.310500      0.5521000       1.006200    
 H    2.297000       1.790100      0.7709000    
 H    5.670300      -1.474400      -1.148300    
 H    5.359500       1.087100      -3.108600    
 H   -6.246400       2.178700       1.681800    
 H   -5.345600      0.1987000      -2.816700    
 H    5.662200       1.536200       2.563800    
 H   -7.146400       3.254900     -0.3715000    
 H   -6.700000       2.273100      -2.601500    
 H  -6.1099999E-02  -4.106900     -0.2453000    


%chk=000125912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125912

0 1
O 4.405963 0.233301 0.978450
O 5.306382 -1.528499 -1.558131
O 6.362248 0.899069 -2.023298
O 6.085030 2.113909 2.359990
N 2.264419 -0.311151 0.069602
N -2.399060 -0.499018 0.424620
N 0.319348 0.907916 0.011611
N 1.311038 -2.568936 0.505976
N -1.145887 -2.512913 0.658580
C 3.686883 -0.649373 0.029932
C 4.360208 -0.440163 -1.354781
C 5.147486 0.899270 -1.197624
C 5.555832 0.879979 0.287177
C -3.707509 -1.158429 0.588693
C -4.618719 -0.333789 1.555512
C -4.509611 -1.183305 -0.758662
C 5.751582 2.246040 0.944002
C -5.389954 0.591594 0.621205
C -5.328716 0.100192 -0.710800
C 1.221939 -1.224687 0.293663
C 0.033722 -0.451521 0.246433
C 1.659720 0.949071 -0.087437
C -1.197039 -1.152813 0.442622
C -6.112040 1.764235 0.919904
C -5.989243 0.779204 -1.754032
C -6.774682 2.449431 -0.128896
C -6.713842 1.960277 -1.456153
C 0.076140 -3.128176 0.682273
H 3.777933 -1.706875 0.332633
H 3.613356 -0.416888 -2.171815
H 4.502637 1.771264 -1.426780
H 6.460100 0.254421 0.416151
H -3.493105 -2.172725 0.957329
H -4.031735 0.191339 2.329561
H -5.313873 -1.018477 2.081349
H -5.175766 -2.069523 -0.777667
H -3.839339 -1.258867 -1.632361
H 4.831791 2.856940 0.803211
H 6.608555 2.765182 0.482655
H -2.373557 0.506792 0.234195
H 2.240595 1.856686 -0.230344
H 6.123412 -1.129038 -1.970360
H 6.183752 1.319052 -2.901254
H -6.160464 2.147400 1.945988
H -5.942885 0.405619 -2.783714
H 5.387893 1.548759 2.783153
H -7.334943 3.366302 0.086757
H -7.227523 2.502255 -2.258370
H 0.058927 -4.207133 0.863149


