%chk=000030511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030511

0 1
 O    1.806100      -1.896900      0.3933000    
 O   0.5632000       1.549000      -1.378400    
 N   -3.625300      0.1969000     -4.0199999E-02
 N   2.7700000E-02 -0.4879000     -0.3802000    
 C   -2.224000      0.1563000      0.3576000    
 C   -1.378900     -0.4636000     -0.7455000    
 C   -4.445000      0.7926000       1.016900    
 C   -4.110300      -1.147000     -0.3611000    
 C   0.4551000      -1.476000      0.5971000    
 C   0.8758000      0.5584000     -0.7264000    
 C    2.268200      0.3895000     -0.2595000    
 C    2.667000     -0.8414000      0.2642000    
 C   -3.959700       2.189100       1.366800    
 C   -5.551000      -1.110500     -0.8416000    
 C    3.194500       1.427500     -0.3931000    
 C    3.996600      -1.048800      0.6313000    
 C    4.519400       1.224600     -4.3000001E-03
 C    4.920700     -1.1900000E-02  0.5030000    
 H   -2.094600     -0.4002000       1.295200    
 H   -1.827400       1.163800      0.5242000    
 H   -1.491600      0.1122000      -1.672200    
 H   -1.629900      -1.503400     -0.9686000    
 H   -5.479400      0.9151000      0.6797000    
 H   -4.461800      0.1716000       1.921600    
 H   -3.564500      -1.578500      -1.203700    
 H   -4.015200      -1.834700      0.4884000    
 H   0.3457000      -1.057100       1.605000    
 H  -0.1757000      -2.367000      0.5177000    
 H   -3.041200       2.176900       1.961700    
 H   -3.799300       2.800900      0.4724000    
 H   -4.716200       2.696900       1.976100    
 H   -6.260600     -0.9464000     -2.4800001E-02
 H   -5.705200     -0.3424000      -1.607500    
 H   -5.813300      -2.075300      -1.290800    
 H    2.907100       2.392700     -0.8005000    
 H    4.317800      -2.009800       1.023500    
 H    5.242800       2.028700     -0.1056000    
 H    5.954900     -0.1678000      0.7959000    


%chk=000030511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030511

0 1
O 2.036974 -1.767677 -0.718240
O 0.211178 1.837087 0.261485
N -3.729699 -0.167298 0.235102
N 0.050275 -0.443401 -0.241944
C -2.321499 -0.400886 0.631299
C -1.379823 -0.333120 -0.602133
C -4.268154 1.137012 0.702797
C -4.637999 -1.318909 0.471431
C 0.694251 -1.747074 -0.098807
C 0.764184 0.698302 0.137096
C 2.238043 0.477561 0.270958
C 2.837568 -0.710991 -0.234083
C -3.560062 2.348958 0.066393
C -5.875424 -1.316622 -0.448348
C 3.075317 1.514005 0.751359
C 4.239114 -0.852545 -0.300327
C 4.476083 1.372413 0.721513
C 5.053622 0.192320 0.185076
H -2.214675 -1.388594 1.126788
H -1.981337 0.361910 1.360686
H -1.531338 0.637445 -1.100747
H -1.633281 -1.135433 -1.319061
H -5.340469 1.174480 0.438997
H -4.208322 1.217651 1.819166
H -4.060850 -2.241883 0.272886
H -4.970123 -1.374005 1.540461
H 0.828536 -2.021170 0.969696
H 0.106872 -2.515604 -0.622413
H -2.480163 2.372966 0.299426
H -3.675236 2.326169 -1.032216
H -4.006199 3.287886 0.444324
H -6.533413 -0.450379 -0.257377
H -5.560657 -1.280131 -1.505993
H -6.474956 -2.231714 -0.285536
H 2.596790 2.430242 1.112898
H 4.665511 -1.772237 -0.711404
H 5.118590 2.175423 1.096295
H 6.143272 0.083941 0.150094


