%chk=000125347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125347

0 1
 O    4.266100      0.6526000      0.9969000    
 O    5.240000      -1.713300     -0.9390000    
 O    6.097500      0.6025000      -2.093900    
 O    5.895200       2.855100       1.683200    
 N    2.184200     -0.2287000      0.2731000    
 N   0.2621000      0.8864000      7.4500002E-02
 N    1.328200      -2.488700      0.5229000    
 N   -2.419300     -0.5447000      0.1607000    
 N   -1.110900      -2.527500      0.4486000    
 N   -8.099700       2.249600     -0.5105000    
 C    4.289900     -0.6520000      -1.017400    
 C    3.626500     -0.4676000      0.3486000    
 C    4.974900      0.6828000      -1.242200    
 C    5.356200       1.091700      0.1700000    
 C    5.555400       2.587900      0.3340000    
 C    1.191300      -1.164600      0.3558000    
 C    1.574500      0.9876000      0.1049000    
 C   8.7000001E-03 -0.4532000      0.2301000    
 C   -1.173700      -1.184600      0.2813000    
 C   0.1181000      -3.087900      0.5574000    
 C   -3.666900      -1.247800      0.2062000    
 C   -4.839500     -0.3225000      1.6799999E-02
 C   -5.316400     -7.7799998E-02  -1.263200    
 C   -5.426500      0.2725000       1.124600    
 C   -6.402600      0.7795000      -1.439000    
 C   -6.512800       1.129700      0.9488000    
 C   -7.000700       1.383200     -0.3330000    
 H    3.595300     -0.9010000      -1.826200    
 H    3.767400      -1.338000       1.000000    
 H    4.252600       1.390500      -1.667600    
 H    6.258000      0.5659000      0.5097000    
 H    4.640400       3.143700      0.1046000    
 H    6.362800       2.957300     -0.3044000    
 H    4.746700      -2.531000     -0.7549000    
 H    6.494000       1.488600      -2.145500    
 H    2.129800       1.910300      5.9000002E-03
 H    5.171400       2.520700       2.240100    
 H   -2.411400      0.4626000      4.0100001E-02
 H   0.1305000      -4.164400      0.6902000    
 H   -3.772300      -1.772300       1.164900    
 H   -3.694700      -2.024900     -0.5689000    
 H   -4.856300     -0.5414000      -2.131300    
 H   -5.052700      8.3200000E-02   2.126900    
 H   -6.773400      0.9694000      -2.443100    
 H   -6.970000       1.594400       1.818700    
 H   -8.453200       2.434900      -1.439800    
 H   -8.532800       2.688500      0.2910000    


%chk=000125347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125347

0 1
O 3.959893 1.403525 0.495511
O 5.769652 -1.060089 1.390743
O 6.148834 -0.894689 -1.224139
O 4.082657 3.225176 -1.695858
N 2.254188 -0.053817 1.387884
N 0.147039 -0.007095 2.307822
N 1.669003 -0.937758 -0.879238
N -2.283123 -0.937548 0.669085
N -0.746738 -1.350745 -1.103666
N -7.680533 2.608087 -0.131194
C 4.516097 -0.952157 0.653709
C 3.698761 0.194868 1.294498
C 4.800009 -0.469622 -0.805270
C 4.779740 1.068993 -0.710358
C 4.128851 1.776567 -1.902124
C 1.380938 -0.524068 0.394120
C 1.450318 0.247357 2.504799
C 0.092068 -0.491015 0.986809
C -1.006790 -0.932090 0.184502
C 0.542169 -1.329664 -1.550176
C -3.469630 -1.361510 -0.101946
C -4.573644 -0.313581 -0.091515
C -4.328957 1.009364 -0.544126
C -5.880652 -0.632633 0.349998
C -5.348103 1.977942 -0.558381
C -6.915751 0.324009 0.338814
C -6.665080 1.650015 -0.116872
H 3.969763 -1.913152 0.681190
H 4.065150 0.367652 2.321166
H 4.010312 -0.846253 -1.477804
H 5.803312 1.452897 -0.541087
H 3.113414 1.358049 -2.064589
H 4.739549 1.625421 -2.808836
H 6.489611 -1.139533 0.700812
H 6.087174 -1.704748 -1.787766
H 1.878514 0.645883 3.422457
H 3.632663 3.382682 -0.825638
H -2.415133 -0.587686 1.621678
H 0.690537 -1.669757 -2.579924
H -3.857484 -2.314555 0.309760
H -3.103789 -1.567041 -1.123615
H -3.323984 1.281834 -0.888904
H -6.097076 -1.647585 0.707908
H -5.133847 2.993735 -0.913328
H -7.919799 0.049672 0.685362
H -7.499373 3.553991 -0.453120
H -8.618832 2.377873 0.181448


