%chk=000122362.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122362

0 1
 I    6.408900      -1.873500     -0.8403000    
 O   -2.273500       1.734900     -0.3114000    
 O   0.1583000       1.613700      0.6737000    
 O   -5.807400     -0.2695000     -0.4308000    
 O   -4.698100       1.611000     -0.6606000    
 N    1.263100     -0.3548000      3.3900000E-02
 N   -4.738000      0.3844000     -0.4042000    
 C   -1.142000     -0.2781000      0.2977000    
 C   -2.316400      0.3994000     -3.0200001E-02
 C   0.1370000      0.4174000      0.3464000    
 C   -3.529600     -0.2878000     -7.1300000E-02
 C    2.624000      3.8199998E-02  2.1100000E-02
 C   -1.180700      -1.642600      0.5842000    
 C   -3.568300      -1.652300      0.2154000    
 C   -2.393800      -2.329700      0.5432000    
 C    3.593400     -0.8893000     -0.3201000    
 C    2.953700       1.341900      0.3505000    
 C    4.933200     -0.5014000     -0.3323000    
 C    4.293300       1.729800      0.3383000    
 C    5.283100      0.8082000     -3.1999999E-03
 H  -0.2996000      -2.203700      0.8819000    
 H    1.116900      -1.316600     -0.2610000    
 H   -4.493500      -2.222700      0.1960000    
 H   -2.425400      -3.390500      0.7750000    
 H    3.310200      -1.907800     -0.5748000    
 H    2.248900       2.112200      0.6249000    
 H    4.567200       2.749300      0.5945000    
 H    6.321000       1.131600     -6.3999998E-03
 H   -1.357600       2.047200     -0.3765000    


%chk=000122362-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122362

0 1
I 6.557903 -2.019306 -0.112788
O -2.320333 1.774683 0.056758
O 0.160896 1.657385 0.135630
O -5.917480 -0.106435 0.516131
O -4.942073 1.556927 -0.705877
N 1.324371 -0.362236 0.048402
N -4.893714 0.452065 -0.051927
C -1.143426 -0.377241 0.093564
C -2.354920 0.416720 0.045887
C 0.151575 0.362340 0.096754
C -3.606663 -0.276116 0.034103
C 2.670646 0.110932 0.053539
C -1.243427 -1.791603 0.147844
C -3.673665 -1.678874 0.109809
C -2.489636 -2.443524 0.159686
C 3.685369 -0.884240 -0.011125
C 3.023906 1.484193 0.117751
C 5.037853 -0.497516 -0.010696
C 4.389389 1.836820 0.117363
C 5.412247 0.862425 0.053698
H -0.344959 -2.418564 0.200679
H 1.231538 -1.377594 -0.010185
H -4.660216 -2.150053 0.132171
H -2.542191 -3.534220 0.209370
H 3.415021 -1.945218 -0.061624
H 2.241411 2.241465 0.163808
H 4.666368 2.895142 0.166885
H 6.464474 1.157765 0.053769
H -1.311964 2.052778 0.104220


