%chk=000029873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029873

0 1
 O   -1.185500      -1.086200      0.8719000    
 O   -1.680600     -0.8117000      -1.384300    
 O    4.537800       1.954000     -0.1937000    
 O    2.327900       2.054100      0.3868000    
 N   -3.255600     -0.3834000      0.2657000    
 N    3.374600      2.5100000E-02 -0.1499000    
 C   -4.814600       1.443700     -0.3040000    
 C   -4.344200      1.2500000E-02 -0.5861000    
 C   -3.673000       2.429800     -0.5545000    
 C   -5.331100       1.596400       1.128400    
 C   -2.011300     -0.7648000     -0.2031000    
 C   9.9100001E-02  -1.485000      0.4900000    
 C    2.360600     -0.9238000     -1.4900000E-02
 C    1.079100     -0.5260000      0.3661000    
 C   0.3330000      -2.821000      0.2531000    
 C    2.628300      -2.270300     -0.2618000    
 C    1.614600      -3.219000     -0.1278000    
 C    3.308300       1.401800      4.9300000E-02
 C    4.632700       3.373900     -3.0999999E-02
 H   -5.635400       1.675500     -0.9938000    
 H   -5.162500     -0.6934000     -0.4049000    
 H   -4.053500     -8.8399999E-02  -1.637600    
 H   -4.029500       3.460200     -0.4485000    
 H   -3.277500       2.319500      -1.569800    
 H   -2.846400       2.293600      0.1508000    
 H   -4.537900       1.460500       1.870700    
 H   -6.122600      0.8686000       1.335800    
 H   -5.752400       2.596800       1.276500    
 H   -3.416200     -0.4321000       1.267100    
 H   0.7991000      0.4967000      0.5745000    
 H  -0.4559000      -3.559100      0.3581000    
 H    3.622300      -2.594400     -0.5596000    
 H    1.822800      -4.267500     -0.3200000    
 H    4.283700     -0.3345000     -0.4309000    
 H    5.659900       3.673300     -0.2553000    
 H    3.958900       3.880400     -0.7285000    
 H    4.403100       3.652500       1.001800    


%chk=000029873-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029873

0 1
O -1.009808 -0.258556 0.342413
O -2.618452 -1.798495 -0.537989
O 5.331643 1.664615 0.629058
O 3.067180 2.085889 1.128206
N -3.193403 0.071494 0.764796
N 3.801030 0.142494 -0.025274
C -5.423423 0.923062 -0.092879
C -4.649696 -0.131669 0.747245
C -5.018242 0.869461 -1.583167
C -5.258665 2.349271 0.485303
C -2.322700 -0.771602 0.119163
C 0.182709 -0.860378 -0.146403
C 2.595660 -0.569136 -0.273066
C 1.330901 -0.090953 0.140925
C 0.252431 -2.094310 -0.834045
C 2.695921 -1.806626 -0.965714
C 1.530156 -2.547294 -1.235265
C 3.954679 1.355713 0.622357
C 5.674585 2.939844 1.289739
H -6.494384 0.640509 -0.009096
H -5.023347 -0.118704 1.790466
H -4.823898 -1.140990 0.335324
H -5.614618 1.585321 -2.178189
H -5.167053 -0.140840 -2.005109
H -3.951337 1.131903 -1.708257
H -4.212422 2.699183 0.391894
H -5.545126 2.392428 1.553619
H -5.892401 3.069687 -0.063010
H -2.790622 0.865289 1.264074
H 1.236801 0.855926 0.675086
H -0.649971 -2.666072 -1.048711
H 3.675396 -2.180395 -1.287751
H 1.610863 -3.499820 -1.769924
H 4.669846 -0.278968 -0.360429
H 6.767398 3.016574 1.199548
H 5.176299 3.783543 0.782869
H 5.366171 2.920899 2.348793


