%chk=000147105.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147105

0 1
 I   -4.334700     -0.5250000      -2.718300    
 O    2.305700       2.155500     -6.7199998E-02
 O    5.376400      -1.319100     -9.9600002E-02
 O    2.769100      -2.059100      0.1756000    
 N    3.534700      0.1369000      8.9999996E-03
 N   -5.298700      0.1090000      0.3684000    
 N   -5.434700       1.346200      0.2616000    
 N   -5.568300       2.475600      0.1649000    
 C    4.702900       2.167600     -3.7400000E-02
 C    5.658200       1.047400     -0.3842000    
 C    1.118000     -0.3500000      0.1565000    
 C    3.349700       1.518700     -3.3500001E-02
 C    4.870800     -0.2047000     -0.1370000    
 C   0.1470000      -1.511800      0.3081000    
 C    2.541500     -0.8476000      0.1445000    
 C   -1.300100      -1.082500      0.3109000    
 C   -1.991500      -1.012900     -0.8883000    
 C   -1.911500     -0.7656000       1.513900    
 C   -3.328800     -0.6160000     -0.8844000    
 C   -3.248500     -0.3688000       1.517700    
 C   -3.957300     -0.2941000      0.3186000    
 H    4.744900       2.976600     -0.7716000    
 H    4.903400       2.570000      0.9606000    
 H    6.555800       1.072600      0.2393000    
 H    5.945500       1.080400      -1.440000    
 H   0.9879000      0.3430000      0.9952000    
 H   0.9170000      0.1804000     -0.7812000    
 H   0.3578000      -2.064100       1.234200    
 H   0.2969000      -2.242100     -0.4990000    
 H   -1.487800      -1.264600      -1.818300    
 H   -1.367100     -0.8189000       2.452300    
 H   -3.727500     -0.1211000       2.461600    


%chk=000147105-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147105

0 1
I -4.618548 -0.923449 -2.557165
O 2.794749 1.795568 1.411193
O 5.059107 -1.155960 -1.502620
O 2.894585 -2.146569 0.193278
N 3.659156 0.063744 0.009010
N -5.215103 0.753643 0.548461
N -6.193044 0.800542 -0.252673
N -7.241533 1.003923 -0.771036
C 5.018432 2.017393 0.327901
C 5.800281 1.015732 -0.544079
C 1.177268 -0.393056 0.161944
C 3.691325 1.336636 0.668777
C 4.862694 -0.174662 -0.766716
C 0.123958 -1.513508 0.334996
C 2.593459 -0.938059 0.140359
C -1.289210 -0.952653 0.351973
C -2.145877 -1.113445 -0.762662
C -1.783844 -0.235965 1.473066
C -3.455013 -0.579070 -0.777859
C -3.080497 0.295556 1.470137
C -3.948011 0.141607 0.348707
H 4.798533 2.964894 -0.194518
H 5.530135 2.282865 1.268094
H 6.717137 0.644328 -0.053638
H 6.101649 1.420144 -1.524443
H 1.101845 0.368072 0.962121
H 1.007754 0.163625 -0.782739
H 0.336644 -2.053305 1.276799
H 0.240185 -2.252282 -0.477228
H -1.788675 -1.669474 -1.635506
H -1.151142 -0.100381 2.357666
H -3.471700 0.845463 2.331300


