%chk=000147063.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147063

0 1
 I   -5.909500     -0.1011000      -2.257500    
 O    1.592900     -0.3231000       1.622000    
 O    4.001200      -3.203200      0.7577000    
 O    5.020600      -1.167300      0.8681000    
 O  -0.2385000      0.9617000      -1.781700    
 O  -0.8744000       3.038300      -1.126600    
 O   -5.604700      -2.615400     -0.1947000    
 N    2.827500     -6.0600001E-02 -0.3179000    
 N   0.4135000       2.036100       1.306500    
 C    3.083600      -1.476900     -0.5452000    
 C    3.575400      -1.555200      -1.985900    
 C    4.240400     -0.1988000      -2.208100    
 C    3.369300      0.7536000      -1.402900    
 C    2.032600      0.3949000      0.7223000    
 C    1.727300       1.871400      0.7082000    
 C    4.143600      -1.896100      0.4284000    
 C  -0.5996000       1.301300      0.5586000    
 C    2.781900       2.625800       1.492700    
 C   -1.964500       1.449300       1.248900    
 C   -2.943300      0.3680000      0.8527000    
 C  -0.6047000       1.877000     -0.8470000    
 C   -3.770700      0.5690000     -0.2396000    
 C   -2.993100     -0.8029000       1.590900    
 C   -4.673700     -0.4297000     -0.6045000    
 C   -3.896300      -1.801300       1.226200    
 C   -4.736600      -1.614800      0.1285000    
 H    2.166200      -2.048700     -0.3691000    
 H    4.260500      -2.387600      -2.173000    
 H    2.719500      -1.653600      -2.664700    
 H    4.300200      7.7600002E-02  -3.264500    
 H    5.259100     -0.2117000      -1.803000    
 H    2.534400       1.114600      -2.012200    
 H    3.932700       1.607300      -1.020300    
 H    1.736400       2.283000     -0.3030000    
 H   0.1695000       3.024800       1.359300    
 H  -0.3880000      0.2293000      0.4939000    
 H    2.817000       2.294700       2.537700    
 H    2.580100       3.702600       1.489200    
 H    3.783700       2.472200       1.079300    
 H   -1.840200       1.404800       2.340300    
 H   -2.405900       2.434900       1.047700    
 H    4.687400      -3.497600       1.393800    
 H   -3.712100       1.497600     -0.8017000    
 H   -2.340800     -0.9587000       2.445200    
 H   -3.939000      -2.722300       1.801500    
 H  -0.2267000       1.345600      -2.684300    
 H   -6.114500      -2.335000     -0.9743000    


%chk=000147063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147063

0 1
I -6.927781 0.757598 -1.237367
O 1.701627 -0.451793 1.461133
O 4.667451 -3.012989 1.173464
O 5.253598 -0.764587 1.247337
O -0.417882 1.577820 -2.016533
O -2.036357 2.923111 -1.031643
O -6.133090 -2.362556 -0.340815
N 3.000412 -0.162890 -0.426974
N 0.374798 2.007933 0.959075
C 3.492899 -1.550127 -0.334443
C 4.118291 -1.803144 -1.736907
C 4.638538 -0.402471 -2.148699
C 3.564373 0.568142 -1.596123
C 2.120602 0.307733 0.531848
C 1.723497 1.802517 0.422062
C 4.545718 -1.678032 0.775247
C -0.768662 1.288809 0.376011
C 2.729008 2.638666 1.253060
C -1.937996 1.211468 1.388859
C -3.064339 0.296037 0.931786
C -1.196871 1.999357 -0.919005
C -4.189429 0.813000 0.241749
C -3.001008 -1.103061 1.167897
C -5.214858 -0.051033 -0.190389
C -4.026211 -1.963209 0.736300
C -5.153800 -1.448209 0.049857
H 2.672227 -2.245452 -0.096088
H 4.905225 -2.573999 -1.712819
H 3.323003 -2.143920 -2.423782
H 4.766267 -0.298815 -3.238850
H 5.609972 -0.200673 -1.664431
H 2.769379 0.764428 -2.342111
H 4.006637 1.532941 -1.293142
H 1.798432 2.104759 -0.647590
H 0.172162 2.968125 1.254844
H -0.438064 0.266532 0.128781
H 2.675377 2.332234 2.311273
H 2.493363 3.717012 1.177859
H 3.763750 2.486949 0.901148
H -1.494404 0.841349 2.329778
H -2.321878 2.233486 1.567861
H 5.357616 -3.085392 1.887220
H -4.246220 1.886242 0.037583
H -2.140335 -1.519891 1.704255
H -3.990458 -3.041005 0.920309
H -0.682920 2.104609 -2.820585
H -6.881958 -1.893809 -0.800401


