%chk=000009478.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009478

0 1
 O   -5.638100       1.140700      0.2119000    
 O   -2.282100      -1.736400     -0.5278000    
 N    6.015800     -0.2455000     -0.1227000    
 N  -0.3325000      0.1867000     -0.5562000    
 N   -1.673000      0.4847000     -0.3751000    
 N   -4.260400       1.120400      3.1599998E-02
 C    1.903500      0.4297000      0.4013000    
 C    4.634900     -1.8800000E-02  5.3399999E-02
 C   0.4436000      0.6698000      0.5882000    
 C    2.695900       1.397200     -0.2164000    
 C    2.476700     -0.7621000      0.8450000    
 C    4.061600       1.172900     -0.3904000    
 C    3.842400     -0.9864000      0.6711000    
 C    6.946500      0.8655000     -0.1342000    
 C    6.523900      -1.593900     -0.2806000    
 C   -2.592300     -0.5552000     -0.3749000    
 C   -3.989700     -0.1571000     -0.1491000    
 C   -5.088400     -0.9970000     -0.1031000    
 C   -6.119600     -0.1260000      0.1297000    
 C   -7.568900     -0.2891000      0.2984000    
 H   0.1063000      0.1709000       1.506600    
 H   0.2693000       1.743100      0.7456000    
 H    2.260500       2.328100     -0.5702000    
 H    1.870300      -1.523300       1.329000    
 H    4.647800       1.941300     -0.8863000    
 H    4.258800      -1.920000       1.038800    
 H  -3.8400002E-02  0.6805000      -1.398800    
 H    6.940300       1.366900      -1.107700    
 H    7.971000      0.5252000      5.3900000E-02
 H    6.709100       1.595800      0.6477000    
 H    7.522900      -1.589100     -0.7311000    
 H    5.884200      -2.189200     -0.9418000    
 H    6.602900      -2.095100      0.6898000    
 H   -1.944300       1.456100     -0.2560000    
 H   -5.148800      -2.069100     -0.2176000    
 H   -7.885200      7.4199997E-02   1.281000    
 H   -8.111300      0.2737000     -0.4676000    
 H   -7.860300      -1.340800      0.2162000    


%chk=000009478-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009478

0 1
O -5.853277 1.063655 -0.180740
O -2.210094 -1.783935 0.060811
N 6.078667 -0.325825 -0.058030
N -0.330782 0.294339 -0.613387
N -1.724665 0.454471 -0.538164
N -4.399723 1.089078 -0.354939
C 1.931078 0.691855 0.263414
C 4.722619 0.008927 0.046454
C 0.458507 1.038094 0.403727
C 2.923612 1.695066 0.159394
C 2.353965 -0.662529 0.248915
C 4.292129 1.373461 0.056934
C 3.713140 -1.004351 0.142044
C 7.088985 0.731925 -0.162845
C 6.488743 -1.734494 -0.066018
C -2.560501 -0.596709 -0.181100
C -4.010137 -0.186518 -0.109444
C -5.111626 -1.049516 0.214017
C -6.238959 -0.248581 0.162481
C -7.699130 -0.472456 0.383072
H 0.068398 0.728297 1.392335
H 0.324867 2.144570 0.330248
H 2.626525 2.752060 0.162003
H 1.595355 -1.451297 0.310640
H 5.021741 2.184649 -0.018321
H 3.990690 -2.062253 0.133654
H 0.028042 0.379925 -1.572730
H 6.930329 1.367526 -1.058742
H 8.089253 0.277667 -0.244637
H 7.088804 1.395146 0.727112
H 7.585549 -1.796458 -0.148055
H 6.051746 -2.288451 -0.922545
H 6.187727 -2.258411 0.864530
H -2.163798 1.380041 -0.669439
H -5.038855 -2.107666 0.446585
H -8.077726 0.156859 1.208428
H -8.281032 -0.220660 -0.521601
H -7.885265 -1.528201 0.635540


