%chk=000096453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096453

0 1
 O   -4.813800      -1.390900      0.6003000    
 O   -3.171700      -2.504800     -0.5085000    
 O    5.424200      0.1930000      3.4600001E-02
 O    4.648700      -1.860600      5.0999999E-02
 N    4.468400     -0.6193000      3.5700001E-02
 C  -0.5316000      -1.230300      2.2000000E-03
 C   -1.532500     -9.3999997E-02 -1.8100001E-02
 C   0.7850000     -0.4819000      4.6000001E-03
 C  -0.8662000       1.152100     -2.6200000E-02
 C   0.5610000      0.9132000     -1.2300000E-02
 C   -2.913900     -0.1753000     -2.8100001E-02
 C    2.064600      -1.008600      2.0700000E-02
 C    1.627200       1.796900     -1.3100000E-02
 C   -1.586300       2.334900     -4.4500001E-02
 C    3.139200     -0.1175000      1.9600000E-02
 C   -3.639600       1.017100     -4.6500001E-02
 C    2.922800       1.271200      2.9000000E-03
 C   -2.982500       2.259600     -5.4499999E-02
 C   -3.603100      -1.454800     -1.9700000E-02
 H  -0.6358000      -1.828200      0.9123000    
 H  -0.6128000      -1.843100     -0.9001000    
 H    2.195400      -2.085900      3.3399999E-02
 H    1.475600       2.871100     -2.5800001E-02
 H   -1.093500       3.301200     -5.1500000E-02
 H   -4.726900       1.015700     -6.6200003E-02
 H    3.751100       1.976500      2.0000001E-03
 H   -3.569100       3.174600     -7.1500003E-02
 H   -5.269800      -2.259500      0.6005000    


%chk=000096453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096453

0 1
O -5.053974 -1.347281 0.093917
O -3.105434 -2.607155 0.104811
O 5.532605 0.245666 -0.041974
O 4.732695 -1.889681 0.012749
N 4.562607 -0.608318 -0.013874
C -0.523902 -1.245733 0.046869
C -1.543711 -0.117998 0.033139
C 0.802595 -0.503788 0.018120
C -0.876728 1.145224 -0.001275
C 0.575732 0.908682 -0.010659
C -2.958570 -0.166842 0.048530
C 2.105477 -1.017655 0.017529
C 1.660053 1.816256 -0.040487
C -1.607953 2.353784 -0.020121
C 3.175221 -0.090059 -0.012587
C -3.689643 1.054612 0.029399
C 2.974548 1.311476 -0.041433
C -3.020443 2.297420 -0.004163
C -3.655919 -1.477569 0.084414
H -0.637694 -1.892225 0.937250
H -0.654223 -1.926590 -0.815727
H 2.322381 -2.088830 0.038989
H 1.491181 2.897670 -0.062534
H -1.094600 3.321216 -0.046684
H -4.781899 1.011690 0.041435
H 3.846512 1.969968 -0.063739
H -3.603640 3.223827 -0.017832
H -5.459174 -2.255366 0.119137


