%chk=000068377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068377

0 1
 O    2.058900      0.6895000     -0.7866000    
 O   -1.073100      -3.201200      0.2674000    
 O   -3.975800       2.035100      0.2741000    
 O   -4.027500     -0.1453000      0.5239000    
 N   0.6536000      -1.680200     -0.2437000    
 N   -3.405600      0.9174000      0.2826000    
 C   0.7218000      0.7282000     -0.5238000    
 C   1.0200000E-02 -0.4403000     -0.2523000    
 C    2.912400       1.420500      9.0999998E-02
 C    4.271200      0.7385000      0.1365000    
 C   -1.357500     -0.3779000      1.4600000E-02
 C   6.5899998E-02   1.959100     -0.5284000    
 C   -2.013500      0.8532000      9.9999998E-03
 C   -1.301800       2.021700     -0.2613000    
 C    5.232400       1.456000       1.067100    
 C   9.6900001E-02  -2.940100      7.4000000E-03
 C    1.131500      -4.034200     -7.8400001E-02
 H    2.487200       1.460800       1.102300    
 H    3.015500       2.443900     -0.2874000    
 H    4.149000     -0.3026000      0.4591000    
 H    4.694100      0.6929000     -0.8741000    
 H   -1.945200      -1.257100      0.2298000    
 H   0.6048000       2.877000     -0.7467000    
 H   -1.779900       2.997800     -0.2752000    
 H    1.651000      -1.649700     -0.4457000    
 H    4.846300       1.475600       2.091200    
 H    6.200600      0.9459000       1.079100    
 H    5.396400       2.488200      0.7416000    
 H    1.541600      -4.075400      -1.091400    
 H   0.6727000      -4.997900      0.1595000    
 H    1.937600      -3.840200      0.6347000    


%chk=000068377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068377

0 1
O 2.062179 0.270054 0.179040
O -1.271974 -3.332573 -0.295109
O -4.006171 2.242845 -0.113461
O -4.268901 -0.016325 -0.279605
N 0.531455 -1.850389 -0.075879
N -3.534018 1.038089 -0.161356
C 0.692939 0.553964 0.103030
C -0.138761 -0.607153 -0.035936
C 3.012266 1.396859 0.326734
C 4.421029 0.804014 0.382082
C -1.537360 -0.444452 -0.122858
C 0.134851 1.848483 0.153128
C -2.067389 0.864530 -0.069667
C -1.260782 2.012451 0.066258
C 5.486608 1.908904 0.557637
C -0.028588 -3.127129 -0.203015
C 1.005130 -4.250324 -0.231725
H 2.774120 1.949655 1.257680
H 2.896837 2.079112 -0.539538
H 4.475765 0.085606 1.220982
H 4.611155 0.236103 -0.547569
H -2.191376 -1.311356 -0.227342
H 0.775882 2.726896 0.259209
H -1.729309 2.998481 0.101478
H 1.551113 -1.776670 -0.004798
H 5.338987 2.465596 1.501401
H 6.499252 1.470826 0.581434
H 5.455541 2.635819 -0.275014
H 1.618416 -4.197850 -1.150533
H 0.476689 -5.213930 -0.217538
H 1.686117 -4.200937 0.637751


