%chk=000025028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025028

0 1
 O    1.357300     -0.8563000      -2.082200    
 O    2.565300       1.499900      0.7408000    
 O   -2.826100      -2.448500      8.7700002E-02
 O   -1.620600       2.751600     -0.2692000    
 O    2.242300       3.605500     -0.1320000    
 N    2.727100      -2.657900     -0.2134000    
 N  -8.4899999E-02  -1.564200     -0.3143000    
 N   -4.227300       2.149700      0.1691000    
 N    4.354600       2.728000      0.1028000    
 C    2.214100      -1.325700      0.1084000    
 C    1.708700      -2.542200      0.8150000    
 C    1.088500     -0.7353000     -0.6858000    
 C   0.2584000      -2.736800      0.4842000    
 C   0.6027000      0.7221000     -0.3773000    
 C   -1.200100     -0.7706000     -0.1787000    
 C  -0.8946000      0.5234000     -0.2465000    
 C    4.036900      -2.863200      0.3827000    
 C    1.167700       1.341400      0.8993000    
 C   -2.566700      -1.251500      3.2400001E-02
 C   -1.917400       1.566100     -0.1582000    
 C   -3.627900     -0.1974000      0.1631000    
 C   -3.333700       1.118300      7.1699999E-02
 C   -5.010600     -0.7477000      0.3927000    
 C    2.986100       2.691400      0.2076000    
 H    2.919400     -0.6608000      0.5659000    
 H    1.960700      -2.711600       1.851800    
 H   9.6699998E-02  -3.654800     -8.9800000E-02
 H  -0.3341000      -2.780400       1.404500    
 H   0.8177000       1.368100      -1.237700    
 H    4.215300      -3.936500      0.5100000    
 H    4.190700      -2.387300       1.360100    
 H    4.810600      -2.483200     -0.2933000    
 H   0.5099000     -0.7549000      -2.547600    
 H    1.004300      0.6852000       1.762800    
 H   0.6831000       2.293600       1.146900    
 H   -5.776900      2.3900000E-02  0.4969000    
 H   -5.031000      -1.347500       1.309200    
 H   -5.307000      -1.386900     -0.4459000    
 H   -5.211000       1.974900      0.3218000    
 H   -3.899900       3.104300      8.5299999E-02
 H    4.927800       1.944400      0.3970000    
 H    4.834400       3.539000     -0.2730000    


%chk=000025028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025028

0 1
O 1.487173 -0.910666 -1.986497
O 2.599824 1.682465 0.871949
O -2.786077 -2.544036 0.373639
O -1.770426 2.859969 -0.272504
O 2.389273 3.461539 -0.669310
N 2.704913 -2.649172 -0.138314
N -0.114312 -1.549968 -0.240544
N -4.286001 2.062747 0.031390
N 4.469153 2.784259 0.187106
C 2.188427 -1.297888 0.298982
C 1.655118 -2.576711 0.941363
C 1.098490 -0.704258 -0.599532
C 0.233400 -2.837783 0.417104
C 0.598415 0.775002 -0.376501
C -1.223116 -0.761908 -0.106240
C -0.914462 0.594812 -0.263704
C 4.088360 -2.962062 0.303073
C 1.121119 1.521331 0.871735
C -2.608423 -1.284857 0.181681
C -1.940103 1.585333 -0.196594
C -3.671981 -0.295670 0.219587
C -3.362064 1.054991 0.022435
C -5.091310 -0.756783 0.474350
C 3.099443 2.723057 0.053038
H 2.856065 -0.614019 0.829046
H 1.916712 -2.844926 1.971846
H 0.233839 -3.661515 -0.316602
H -0.503919 -3.061859 1.203390
H 0.890875 1.381956 -1.253140
H 4.208951 -4.059262 0.320783
H 4.357069 -2.560154 1.308684
H 4.788915 -2.544578 -0.440341
H 0.775434 -0.539693 -2.570874
H 0.915849 0.967610 1.802243
H 0.646731 2.517435 0.901252
H -5.523678 -0.293159 1.384115
H -5.097879 -1.849362 0.616818
H -5.762768 -0.522424 -0.376191
H -5.277941 1.894442 0.175820
H -3.916400 3.012300 -0.093849
H 4.959766 2.154942 0.817210
H 4.978045 3.478124 -0.353102


