%chk=000155675.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155675

0 1
 O   0.8183000       2.347200     -0.4985000    
 O    5.006300      0.6189000      0.5130000    
 N   -1.024200      -1.418200     -6.4199999E-02
 N    1.303100      -2.316000     -0.1162000    
 N    3.219400     -0.8327000      0.2093000    
 N    2.924100       1.523200      5.6499999E-02
 C  -0.4516000     -0.1458000     -0.5402000    
 C    1.041600      1.3400000E-02 -0.2621000    
 C  -0.1069000      -2.514400     -0.4076000    
 C    1.862400      -1.042300     -5.0700001E-02
 C   -2.365800      -1.641000     -0.5907000    
 C    1.567800       1.404400     -0.2469000    
 C    3.805300      0.4435000      0.2793000    
 C   -3.317500     -0.5540000     -0.1821000    
 C    4.076300      -2.001200      0.4261000    
 C    3.502900       2.862200      0.1198000    
 C   -4.039700     -0.6807000      0.9988000    
 C   -3.467100      0.5681000     -0.9885000    
 C   -4.923800      0.3290000       1.378600    
 C   -4.351300       1.577800     -0.6086000    
 C   -5.079700       1.458400      0.5749000    
 H  -0.9617000      0.6735000     -2.2200000E-02
 H  -0.5942000     -2.4700001E-02  -1.622300    
 H  -0.1831000      -2.739400      -1.479900    
 H  -0.4299000      -3.417900      0.1227000    
 H   -2.752700      -2.601000     -0.2233000    
 H   -2.357400      -1.728400      -1.686300    
 H    1.908200      -3.121200     -1.3800000E-02
 H    5.111200      -1.715200      0.6319000    
 H    4.069300      -2.625100     -0.4733000    
 H    3.704000      -2.568000       1.285600    
 H    2.747600       3.646200      2.6699999E-02
 H    4.231700       2.963900     -0.6908000    
 H    4.028700       2.980000       1.072700    
 H   -3.925100      -1.554800       1.633900    
 H   -2.918200      0.6710000      -1.920200    
 H   -5.490700      0.2361000       2.300300    
 H   -4.474900       2.455800      -1.236000    
 H   -5.768500       2.244300      0.8704000    


%chk=000155675-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155675

0 1
O 1.241914 2.508681 -0.846869
O 4.938718 0.372933 1.110763
N -0.940361 -1.224166 -0.543033
N 1.219067 -2.265221 -0.169378
N 3.080476 -0.928009 0.506114
N 3.108029 1.431119 0.108721
C -0.324596 0.073348 -0.928115
C 1.121672 0.134347 -0.477110
C -0.046923 -2.341110 -0.917221
C 1.788729 -1.001962 -0.035986
C -2.321227 -1.383532 -1.051962
C 1.773400 1.424113 -0.447601
C 3.777086 0.309439 0.610327
C -3.320432 -0.459524 -0.359083
C 3.790968 -2.143893 0.945510
C 3.831322 2.718907 0.189056
C -3.202631 -0.174543 1.024266
C -4.409454 0.084385 -1.082321
C -4.160290 0.635922 1.672156
C -5.373033 0.891574 -0.434734
C -5.251679 1.169068 0.946019
H -0.886405 0.896234 -0.453532
H -0.392957 0.245897 -2.032688
H 0.200093 -2.327381 -2.007904
H -0.538326 -3.301459 -0.686782
H -2.618775 -2.436875 -0.867982
H -2.383391 -1.221192 -2.157863
H 1.384289 -2.959725 0.559990
H 4.819620 -1.844781 1.195376
H 3.802085 -2.893952 0.135803
H 3.328201 -2.579187 1.851972
H 3.167784 3.485852 -0.236561
H 4.774615 2.661399 -0.378743
H 4.072542 2.955051 1.238693
H -2.345012 -0.582143 1.571187
H -4.502559 -0.118386 -2.156989
H -4.055504 0.855140 2.740959
H -6.209189 1.308968 -1.007123
H -5.993666 1.799561 1.448767


