%chk=000065446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065446

0 1
 O    2.561800      -2.686200      0.7339000    
 O    5.491100       2.957800     -0.1606000    
 O   0.9305000      -4.056800     -0.1073000    
 O   -6.800200       1.250800     -0.5556000    
 O   -5.531400       2.345200      0.8628000    
 N    3.884000      0.6145000     -0.3279000    
 N   0.6412000      -1.751300      0.1092000    
 N  -0.6188000      -1.648600     -0.3336000    
 N   -3.402200      0.6215000      0.3479000    
 N   -3.293700      -1.122500      -1.022800    
 N   -5.690300       1.404600      3.1800002E-02
 C    2.756600      -1.255900      0.8082000    
 C    3.701000     -0.8353000     -0.3090000    
 C    4.418800       1.089800      0.9557000    
 C    4.777700       1.013300      -1.424200    
 C    1.366300     -0.6620000      0.6654000    
 C    4.612100       2.602700      0.9074000    
 C    4.963700       2.527900      -1.416200    
 C    1.320100      -2.939800      0.2019000    
 C   -1.274300     -0.6638000      0.1909000    
 C   -2.657100     -0.3858000     -0.1603000    
 C   -4.633000      0.5295000     -0.2387000    
 C   -2.982300       1.604100       1.321700    
 C   -4.541400     -0.5538000      -1.080800    
 H    3.174700      -1.061800       1.800000    
 H    3.295000      -1.172700      -1.272000    
 H    4.657900      -1.361700     -0.1905000    
 H    5.377500      0.6032000       1.176800    
 H    3.733600      0.9013000       1.786500    
 H    4.354000      0.7124000      -2.389100    
 H    5.755300      0.5259000      -1.314800    
 H   0.9898000     -0.4475000       1.672400    
 H    1.310900      0.2347000      4.1900001E-02
 H    3.657600       3.129600      0.7864000    
 H    5.066400       2.951000       1.840600    
 H    5.676600       2.820000      -2.194000    
 H    4.021300       3.052300      -1.616200    
 H  -0.8463000      1.5000000E-03  0.9494000    
 H   -1.946600       1.466000       1.623900    
 H   -3.067300       2.598700      0.8758000    
 H   -3.608200       1.504500       2.212600    
 H   -5.306700     -0.9586000      -1.728000    


%chk=000065446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065446

0 1
O 2.627514 -2.841222 0.578877
O 5.558383 3.073596 -0.140030
O 0.841765 -4.120260 -0.236003
O -7.027753 0.901625 -0.714826
O -5.750343 2.540347 0.251839
N 4.002684 0.616336 -0.107692
N 0.609851 -1.798016 0.333900
N -0.713709 -1.723494 0.016488
N -3.482877 0.701964 0.165595
N -3.543561 -1.436429 -0.670030
N -5.903202 1.341871 -0.244693
C 2.870506 -1.388418 0.848257
C 3.725641 -0.824193 -0.304778
C 5.076608 0.870181 0.895200
C 4.324428 1.316472 -1.384950
C 1.463032 -0.745956 0.934685
C 5.240605 2.382729 1.118431
C 4.495249 2.821824 -1.126229
C 1.288340 -3.045895 0.166482
C -1.351731 -0.586025 0.249488
C -2.757449 -0.471897 -0.087322
C -4.791661 0.443876 -0.286486
C -2.940086 1.927817 0.788741
C -4.790441 -0.875203 -0.791608
H 3.403052 -1.345141 1.810729
H 3.157909 -0.949968 -1.246624
H 4.650039 -1.440898 -0.395040
H 6.050409 0.440134 0.554875
H 4.812501 0.391083 1.856269
H 3.497448 1.155713 -2.101929
H 5.262032 0.916704 -1.842026
H 1.148185 -0.537442 1.975255
H 1.443853 0.196133 0.356731
H 4.305305 2.799959 1.551235
H 6.086385 2.593281 1.793044
H 4.810872 3.347612 -2.041961
H 3.536097 3.250208 -0.762202
H -0.872079 0.300268 0.694902
H -2.575857 1.705937 1.806583
H -2.114820 2.329861 0.176206
H -3.744630 2.672158 0.846162
H -5.632794 -1.408531 -1.224045


