%chk=000008522.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008522

0 1
 I   -4.023700      -1.721800      0.3827000    
 O  -0.7939000      -2.303400     -0.1635000    
 N  -0.9562000       1.155400     -0.1116000    
 N  -0.1861000     -1.1300000E-02 -0.2000000    
 C   -2.272800      0.7688000      0.1411000    
 C    1.223100     -2.8300000E-02 -4.6999998E-02
 C   -1.048100      -1.109600     -0.1243000    
 C   -2.418200     -0.5659000      0.1322000    
 C  -0.6601000       2.253100      -1.027800    
 C   -3.331400       1.805900      0.3388000    
 C    1.957500      -1.161400     -0.4100000    
 C    1.888400       1.087700      0.4692000    
 C    3.343900      -1.178200     -0.2582000    
 C    3.274900       1.070900      0.6211000    
 C    4.002700     -6.1900001E-02  0.2573000    
 H   -1.196700       2.114800      -1.973700    
 H   0.4002000       2.344100      -1.275500    
 H  -0.9770000       3.204900     -0.5884000    
 H   -4.287500       1.381300      0.6562000    
 H   -3.506600       2.359700     -0.5892000    
 H   -3.022200       2.517300       1.112000    
 H    1.487200      -2.038600     -0.8421000    
 H    1.356200       1.975000      0.7998000    
 H    3.911800      -2.057700     -0.5471000    
 H    3.787400       1.936800       1.030300    
 H    5.082200     -7.5199999E-02  0.3760000    


%chk=000008522-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008522

0 1
I -4.086720 -1.696373 0.771554
O -0.683696 -2.371718 0.130071
N -0.956755 1.178413 -0.088193
N -0.209501 -0.040692 -0.191666
C -2.301318 0.817557 0.143321
C 1.212991 -0.030751 -0.054768
C -1.071137 -1.173235 0.071686
C -2.388706 -0.558904 0.275229
C -0.613212 2.245401 -1.059192
C -3.372271 1.866190 0.192506
C 1.961701 -1.092382 -0.623310
C 1.868712 1.007869 0.656680
C 3.365225 -1.100691 -0.482342
C 3.275098 0.995282 0.770654
C 4.030397 -0.056406 0.202186
H -0.867725 1.951675 -2.096384
H 0.463920 2.462508 -1.001992
H -1.168830 3.155587 -0.785587
H -4.304272 1.421289 0.575722
H -3.589190 2.283603 -0.809277
H -3.087715 2.701354 0.857479
H 1.441049 -1.899846 -1.142809
H 1.276834 1.790756 1.142856
H 3.940856 -1.925842 -0.915527
H 3.778013 1.798600 1.320482
H 5.121254 -0.066842 0.298921


