%chk=000051922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051922

0 1
 I    4.078600      -3.573600      -1.352600    
 I   -5.989700     -0.8886000       1.404000    
 O   0.8740000      -3.349800      0.3130000    
 O    2.029300       3.880800     -4.0000002E-03
 O   -4.124400       1.435000     -0.5472000    
 N    1.926000      -1.244600      0.2932000    
 N    2.369700       1.555200      0.1731000    
 N   -2.802100     -0.4956000     -0.2886000    
 C   0.8635000     -0.3530000      0.1188000    
 C    1.081900       1.023400      5.9099998E-02
 C   -1.507300      1.0500000E-02 -0.1723000    
 C  -0.4311000     -0.8593000      3.1000001E-03
 C   5.7000001E-03   1.893300     -0.1161000    
 C   -1.289000       1.386900     -0.2320000    
 C    1.876500      -2.642200      0.3728000    
 C    2.753700       2.900500      0.1348000    
 C   -3.997600      0.2156000     -0.4685000    
 C    3.246000      -3.261700      0.5654000    
 C    4.245000       3.058900      0.2946000    
 C   -5.208700     -0.6917000     -0.5506000    
 H  -0.6730000      -1.911600      3.9000001E-02
 H   8.7800004E-02   2.969000     -0.1732000    
 H   -2.070000       2.121900     -0.3665000    
 H    2.851600     -0.8371000      0.3640000    
 H    3.125700      0.8914000      0.3001000    
 H   -2.877900      -1.508800     -0.2314000    
 H    3.875700      -2.608200       1.178000    
 H    3.128500      -4.203800       1.110900    
 H    4.556200       2.666500       1.266800    
 H    4.513600       4.117200      0.2358000    
 H    4.763400       2.517100     -0.5016000    
 H   -4.932300      -1.663000     -0.9732000    
 H   -5.936000     -0.2373000      -1.231600    


%chk=000051922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051922

0 1
I 5.064787 -2.050240 1.048035
I -5.321152 -2.763972 0.049398
O 0.920096 -3.316645 0.220517
O 2.237709 3.618758 0.669516
O -4.245006 1.469456 -0.667882
N 1.874492 -1.176340 0.456878
N 2.441101 1.457548 -0.221260
N -2.925776 -0.424946 -0.194789
C 0.778496 -0.325900 0.121007
C 1.070092 1.045688 -0.158417
C -1.608424 0.119403 -0.175277
C -0.553704 -0.788792 0.085811
C 0.000759 1.940328 -0.384893
C -1.334451 1.495199 -0.390624
C 1.896183 -2.553516 0.499730
C 2.949957 2.713152 0.154947
C -4.114309 0.229257 -0.424244
C 3.184064 -3.248209 0.953576
C 4.441078 2.896919 -0.115442
C -5.416966 -0.579830 -0.394033
H -0.749615 -1.849700 0.262835
H 0.222631 2.995509 -0.553855
H -2.154582 2.190736 -0.573484
H 2.733206 -0.701127 0.761533
H 3.093755 0.828467 -0.697898
H -2.998999 -1.433961 -0.017231
H 3.057385 -3.644610 1.973499
H 3.403162 -4.072468 0.260239
H 4.955991 1.974349 -0.436305
H 4.922991 3.275180 0.801440
H 4.575570 3.666920 -0.895690
H -5.905907 -0.511506 -1.377574
H -6.081316 -0.161804 0.377039


