%chk=000006798.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006798

0 1
 I   1.0700000E-02   2.824000      -1.191200    
 I    3.047900      -2.344300     -3.5100002E-02
 I   -3.059500      -2.325000     -3.7799999E-02
 O   -2.887300       1.523900       1.445200    
 O    2.898900       1.504100       1.448900    
 O  -9.4999997E-03  -3.630300       1.542300    
 O  -1.1700000E-02  -4.315300     -0.6250000    
 N   -2.418200      0.7561000     -0.7278000    
 N    2.426600      0.7413000     -0.7252000    
 C   -1.206000      6.7800000E-02 -0.5738000    
 C    1.210100      6.0400002E-02 -0.5727000    
 C   4.1999999E-03  0.7448000     -0.7256000    
 C  -4.6999999E-03  -1.977600     -0.1161000    
 C    1.205600      -1.300800     -0.2680000    
 C   -1.210400      -1.293300     -0.2690000    
 C   -3.162300       1.420200      0.2544000    
 C    3.174000       1.400100      0.2581000    
 C   -4.419900       2.036800     -0.3400000    
 C    4.435800       2.009200     -0.3347000    
 C  -9.3999999E-03  -3.406100      0.2033000    
 C   -5.276200       2.739400      0.6982000    
 C    5.261200       2.764500      0.6915000    
 H   -2.775200      0.7715000      -1.680600    
 H    2.801600      0.7261000      -1.671000    
 H   -4.121300       2.752100      -1.114700    
 H   -5.003500       1.242200     -0.8186000    
 H    5.038000       1.203000     -0.7687000    
 H    4.146200       2.689600      -1.143700    
 H   -5.597900       2.042400       1.479000    
 H   -6.169200       3.165400      0.2307000    
 H   -4.722200       3.551500       1.180500    
 H    4.684900       3.584300       1.132900    
 H    6.155800       3.187700      0.2244000    
 H    5.579700       2.102800       1.503700    
 H  -1.2000000E-02  -4.588400       1.752900    


%chk=000006798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006798

0 1
I 0.252462 2.740050 -1.403543
I 2.994361 -2.564747 0.102181
I -3.116174 -2.313410 -0.478398
O -3.175881 0.556701 1.361569
O 2.439005 1.935194 1.171801
O -0.347682 -3.855585 1.362409
O -0.033262 -4.433094 -0.869911
N -2.333680 0.880548 -0.798488
N 2.607187 0.552239 -0.705552
C -1.159492 0.094517 -0.647547
C 1.322801 -0.053262 -0.591950
C 0.128283 0.688093 -0.791715
C -0.055129 -2.071425 -0.204217
C 1.204635 -1.436077 -0.279584
C -1.229986 -1.305316 -0.402075
C -3.276977 1.098388 0.231027
C 3.123490 1.486568 0.216530
C -4.440726 2.007072 -0.174897
C 4.584856 1.872500 -0.039343
C -0.141520 -3.562451 0.017957
C -4.954752 2.848471 1.010994
C 4.880403 3.323454 0.391603
H -2.374022 1.509084 -1.605860
H 3.260322 0.143447 -1.379293
H -4.156956 2.656963 -1.025757
H -5.251035 1.343763 -0.540954
H 5.213417 1.175320 0.551671
H 4.849081 1.718070 -1.103472
H -5.165754 2.194726 1.873446
H -5.879097 3.386079 0.735973
H -4.201502 3.590666 1.328798
H 4.348427 4.045686 -0.252476
H 5.962336 3.535395 0.332878
H 4.540575 3.485204 1.427964
H -0.413216 -4.842730 1.484935


