%chk=000063298.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063298

0 1
 I   -7.229600       1.801400     -0.1601000    
 O   0.9727000      0.2719000      3.6400001E-02
 O   -3.169200      -1.998400     -0.2282000    
 N   -1.068100     -0.9437000     -4.9500000E-02
 N  -0.9676000       1.424400      0.2016000    
 N  -0.9429000      -3.245200     -0.6066000    
 C   -3.143800      0.3257000     -5.8400001E-02
 C  -0.3865000      0.2731000      8.9599997E-02
 C   -2.366500       1.470600      0.1399000    
 C   -2.471100     -0.9913000     -0.1445000    
 C    1.538800       1.566300      0.1149000    
 C    3.031900       1.454700      1.5799999E-02
 C  -0.3895000      -2.183400      1.3300000E-02
 C   -4.538500      0.4159000     -0.1425000    
 C   -3.005600       2.711200      0.2527000    
 C    3.644800       1.507800      -1.230900    
 C    3.788500       1.298700       1.171600    
 C   -5.160600       1.658400     -2.9100001E-02
 C    5.798700       1.247000     -0.1678000    
 C   -4.395500       2.805200      0.1698000    
 C    5.032700       1.403600      -1.323100    
 C    5.176400       1.194500       1.079400    
 C   0.8031000      -2.215700      0.7112000    
 C    7.282400       1.135200     -0.2664000    
 C    1.478400      -3.429300      0.7779000    
 C  -0.2579000      -4.407600     -0.5201000    
 C   0.9445000      -4.551000      0.1532000    
 H    1.281500       2.048100       1.068100    
 H    1.179900       2.204600     -0.7042000    
 H   -5.136900     -0.4793000     -0.2939000    
 H   -2.420600       3.615700      0.4022000    
 H    3.057900       1.627200      -2.137500    
 H    3.314200       1.253900       2.148100    
 H   -4.859800       3.784000      0.2601000    
 H    5.505800       1.447100      -2.300600    
 H    5.762200       1.073800       1.986900    
 H    1.199500      -1.418600       1.326300    
 H    7.686500      0.5150000      0.5409000    
 H    7.581700      0.6668000      -1.210200    
 H    7.738700       2.128400     -0.2077000    
 H    2.403700      -3.509300       1.340800    
 H  -0.7175000      -5.252400      -1.022300    
 H    1.449900      -5.508800      0.1984000    


%chk=000063298-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063298

0 1
I -7.495874 1.466876 -0.132218
O 0.900741 0.480765 0.485507
O -2.973974 -2.079531 0.134931
N -1.031525 -0.754642 0.235322
N -1.128099 1.661376 0.329486
N 0.536783 -2.016141 -1.050497
C -3.218449 0.342658 0.158780
C -0.459707 0.524785 0.336010
C -2.524276 1.592694 0.214679
C -2.463675 -0.926475 0.178091
C 1.626398 1.791964 0.452313
C 3.086306 1.492209 0.210235
C -0.191195 -1.935831 0.090854
C -4.633927 0.302815 0.063901
C -3.278363 2.797841 0.171868
C 3.481148 0.572712 -0.795439
C 4.085206 2.166722 0.949110
C -5.349945 1.506766 0.022296
C 5.859674 1.026161 -0.323712
C -4.678945 2.760033 0.075290
C 4.847271 0.343250 -1.051482
C 5.454812 1.940311 0.679672
C -0.211878 -2.931402 1.089757
C 7.328897 0.771025 -0.613201
C 0.590420 -4.076824 0.896852
C 1.312622 -3.124300 -1.218719
C 1.372059 -4.176099 -0.276681
H 1.454591 2.310735 1.411769
H 1.170327 2.396950 -0.352807
H -5.121982 -0.675068 0.019915
H -2.742913 3.750531 0.216824
H 2.711305 0.027689 -1.353600
H 3.798273 2.871898 1.739200
H -5.249767 3.692620 0.041518
H 5.138190 -0.374023 -1.829281
H 6.215951 2.474512 1.260871
H -0.842882 -2.812899 1.973638
H 7.981183 1.400040 0.016517
H 7.597353 -0.285885 -0.425717
H 7.572946 0.984455 -1.670834
H 0.601137 -4.874293 1.646471
H 1.892863 -3.164033 -2.147232
H 2.007616 -5.046745 -0.464762


