%chk=000034405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034405

0 1
 O    1.556000      0.2572000      0.7151000    
 O   0.9804000      0.1002000      -1.539500    
 O    3.284300       3.848300     -1.0700000E-02
 O    1.511800       2.685900      0.5604000    
 O   -7.792400      -1.429400      0.3656000    
 O   -7.929100      0.7583000      0.2470000    
 N    2.989700      -2.055300      0.4754000    
 N    2.716800       2.754900      0.2217000    
 N   -7.263100     -0.3040000      0.1996000    
 C    3.590900     -0.8763000      0.2279000    
 C    4.946700     -0.7976000     -0.1537000    
 C    2.873800      0.3112000      0.3456000    
 C    3.465500       1.552000      9.6400000E-02
 C    5.542100      0.4503000     -0.4044000    
 C    4.801300       1.622000     -0.2789000    
 C    5.669000      -1.992600     -0.2723000    
 C  -0.7384000      9.8999999E-02  0.1508000    
 C   -3.137900     -8.6499996E-02 -0.5352000    
 C   -1.693800     -1.0600000E-02 -0.7911000    
 C   0.6665000      0.1506000     -0.3582000    
 C    5.052300      -3.209100     -1.7899999E-02
 C    3.722300      -3.185700      0.3496000    
 C   -3.734500      -1.325700     -0.3500000    
 C   -3.884800       1.082000     -0.4811000    
 C  -0.9660000      0.2192000       1.630100    
 C   -5.866900     -0.2303000     -4.9199998E-02
 C   -5.106000      -1.397900     -0.1059000    
 C   -5.256300       1.009900     -0.2369000    
 H    6.587300      0.5156000     -0.6989000    
 H    5.301200       2.565200     -0.4823000    
 H    6.716700      -1.981800     -0.5638000    
 H   -1.443000     -7.4199997E-02  -1.847700    
 H    5.595800      -4.142500     -0.1049000    
 H    3.187400      -4.105800      0.5609000    
 H   -3.152700      -2.242900     -0.3916000    
 H   -3.420700       2.054200     -0.6256000    
 H  -0.5643000       1.165700       2.006400    
 H  -0.4770000     -0.6054000       2.159500    
 H   -2.025700      0.1903000       1.899900    
 H   -5.547600      -2.381100      3.5599999E-02
 H   -5.817300       1.940200     -0.1996000    


%chk=000034405-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034405

0 1
O 1.608490 0.637474 0.455201
O 0.926728 -0.314995 -1.572806
O 3.851599 4.043752 -0.112497
O 1.848473 3.104561 -0.667925
O -8.120642 -1.398785 -0.540900
O -8.023978 0.276955 1.005736
N 2.839008 -1.834798 0.528738
N 3.088961 3.021811 -0.332043
N -7.472491 -0.523339 0.154287
C 3.612163 -0.735780 0.191936
C 5.032226 -0.817924 -0.068125
C 2.957400 0.544200 0.103275
C 3.714352 1.682960 -0.210803
C 5.767868 0.372755 -0.374290
C 5.124222 1.603398 -0.431256
C 5.637741 -2.114527 0.007034
C -0.732697 0.181998 0.183291
C -3.205293 -0.269042 -0.381950
C -1.758401 -0.240915 -0.632116
C 0.622224 0.102946 -0.440644
C 4.851060 -3.221039 0.329319
C 3.454184 -3.029795 0.588534
C -3.988275 -1.200492 -1.131572
C -3.882958 0.603965 0.523719
C -0.844376 0.668371 1.610552
C -6.005543 -0.433477 -0.035498
C -5.378021 -1.299418 -0.958823
C -5.275385 0.527127 0.698694
H 6.844577 0.305861 -0.563681
H 5.663321 2.528984 -0.647752
H 6.710545 -2.220718 -0.188159
H -1.446523 -0.638730 -1.609146
H 5.279785 -4.225470 0.393714
H 2.822332 -3.885069 0.854159
H -3.486509 -1.860029 -1.848358
H -3.325463 1.376349 1.057699
H -0.855203 1.774488 1.657067
H 0.029306 0.338347 2.194195
H -1.756976 0.287541 2.096608
H -5.981686 -2.018312 -1.518391
H -5.805845 1.196311 1.381078


