%chk=000030781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030781

0 1
 I    1.292200       2.199400      0.9528000    
 I    3.853500      -3.142600     -0.6213000    
 I   -2.019700      -2.872100      0.3850000    
 O    3.719500      0.7953000      -2.142500    
 O   -1.200200      0.2051000      0.9203000    
 O   -1.957400       2.963500      -1.174100    
 O   -1.916900       2.906800       1.090900    
 N    3.583300      4.2800002E-02  0.1189000    
 C    4.500200      5.6400001E-02   1.242300    
 C    5.489500       1.149300      0.8952000    
 C    5.550400       1.100600     -0.6184000    
 C    4.158800      0.6578000      -1.010100    
 C    2.310300     -0.5976000      0.1827000    
 C    1.161200      0.1276000      0.5253000    
 C    2.194700      -1.965700     -9.6900001E-02
 C  -8.1000000E-02 -0.5042000      0.5873000    
 C   0.9528000      -2.597400     -3.4899998E-02
 C   -1.923700      0.8066000     -0.1491000    
 C  -0.1851000      -1.866700      0.3072000    
 C   -3.320800      0.2290000     -0.1916000    
 C   -3.927000     -0.1629000      0.9900000    
 C   -3.964800      0.1046000      -1.410900    
 C   -1.921700       2.315100      1.9300001E-02
 C   -5.215600     -0.6953000      0.9511000    
 C   -5.253600     -0.4277000      -1.449700    
 C   -5.878900     -0.8277000     -0.2688000    
 H    5.002300     -0.9124000       1.315700    
 H    3.973300      0.2613000       2.179200    
 H    6.464800       1.006000       1.368400    
 H    5.098300       2.122400       1.216900    
 H    6.268500      0.3526000     -0.9689000    
 H    5.786600       2.077000      -1.048200    
 H   -1.415000      0.5842000      -1.099400    
 H   0.8701000      -3.660200     -0.2532000    
 H   -3.441200     -4.6700001E-02   1.954600    
 H   -3.486800      0.4141000      -2.335700    
 H   -5.704800      -1.001800       1.871000    
 H   -5.770200     -0.5305000      -2.399400    
 H   -6.882700      -1.241100     -0.2989000    
 H   -1.970000       3.937700      -1.060300    


%chk=000030781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030781

0 1
I 1.507366 2.369452 1.080714
I 2.667715 -3.574088 -0.177773
I -2.192586 -2.053595 3.174563
O 1.699267 0.389017 -2.164515
O -1.227209 0.866812 2.205293
O -3.205329 3.635721 1.474783
O -3.907922 1.794900 2.708045
N 2.920362 -0.245896 -0.237492
C 4.326183 -0.274441 0.249987
C 5.068392 0.637851 -0.769059
C 4.199550 0.574362 -2.049745
C 2.786911 0.253804 -1.545606
C 1.798691 -0.662297 0.537468
C 0.917710 0.303921 1.101371
C 1.485832 -2.033046 0.738990
C -0.291002 -0.067869 1.750612
C 0.373087 -2.427477 1.509560
C -1.999273 1.604507 1.116143
C -0.512571 -1.448709 2.004518
C -2.487135 0.690831 0.004347
C -3.654054 -0.105209 0.143132
C -1.718019 0.605489 -1.185844
C -3.128717 2.295946 1.875730
C -4.047395 -0.967183 -0.902492
C -2.108522 -0.267083 -2.224325
C -3.276978 -1.050956 -2.086976
H 4.719817 -1.308656 0.239963
H 4.380389 0.111196 1.282842
H 6.104800 0.301189 -0.933303
H 5.099350 1.672948 -0.386780
H 4.516619 -0.238018 -2.731046
H 4.187195 1.510241 -2.630350
H -1.335853 2.381470 0.702329
H 0.173532 -3.485450 1.689689
H -4.240493 -0.054862 1.066493
H -0.802520 1.196318 -1.303725
H -4.950179 -1.578068 -0.791776
H -1.492226 -0.335926 -3.126454
H -3.582971 -1.726472 -2.893953
H -3.978618 4.071927 1.926445


