%chk=000040294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040294

0 1
 O    2.076300     -7.7900000E-02  0.5056000    
 O   -4.898900       1.090100      0.3836000    
 O    1.268100       1.456200     -0.9631000    
 N    5.574500      -1.024700     -0.1671000    
 N  -0.1318000      0.6149000      0.7343000    
 C    6.196600      0.3058000     -0.1178000    
 C    6.453000      -2.044100      0.4237000    
 C    7.530100      0.3194000     -0.8667000    
 C    7.794800      -2.107400     -0.3077000    
 C    8.479300     -0.7456000     -0.3291000    
 C    4.279500      -1.009300      0.5125000    
 C    3.323500     -4.7899999E-02 -0.1757000    
 C    1.079100      0.7389000      1.6500000E-02
 C   -6.679500      -2.184000     -0.1328000    
 C   -6.455000     -0.6741000     -8.7700002E-02
 C   -8.080500      -2.522800     -0.6413000    
 C   -5.047500     -0.3289000      0.3777000    
 C   -1.291500       1.378600      0.3248000    
 C   -3.648200       1.582600      0.1674000    
 C   -2.530900      0.8462000      0.5611000    
 C   -8.296200      -4.025900     -0.7198000    
 C  -0.2222000     -0.2843000       1.894200    
 C   -1.085600       2.592100     -0.2756000    
 C   -3.484100       2.823700     -0.4478000    
 C   -2.202700       3.328300     -0.6693000    
 H    5.586900       1.063700     -0.6161000    
 H    6.350700      0.6309000      0.9195000    
 H    6.624200      -1.842100       1.489400    
 H    5.979200      -3.030600      0.3511000    
 H    7.354000      0.1450000      -1.935900    
 H    7.996100       1.307300     -0.7768000    
 H    8.447300      -2.841400      0.1786000    
 H    7.636100      -2.452900      -1.337200    
 H    8.792500     -0.4772000      0.6874000    
 H    9.384400     -0.7887000     -0.9448000    
 H    3.829200      -2.010300      0.4931000    
 H    4.378200     -0.7430000       1.573500    
 H    3.674000      0.9863000     -0.1325000    
 H    3.174800     -0.3398000      -1.222400    
 H   -6.537800      -2.607900      0.8687000    
 H   -5.931600      -2.646800     -0.7882000    
 H   -6.625600     -0.2354000      -1.078900    
 H   -7.186200     -0.2008000      0.5794000    
 H   -8.231900      -2.087000      -1.635700    
 H   -8.833800      -2.084200      2.3399999E-02
 H   -4.339400     -0.8050000     -0.3131000    
 H   -4.882300     -0.7100000       1.392100    
 H   -2.642800     -0.1148000       1.049300    
 H   -9.304600      -4.245500      -1.084200    
 H   -8.182000      -4.490300      0.2649000    
 H   -7.579100      -4.490000      -1.404300    
 H  -0.8917000      0.1381000       2.649900    
 H   0.7547000     -0.4266000       2.364000    
 H  -0.5916000      -1.256500       1.554400    
 H  -0.1224000       3.071900     -0.3937000    
 H   -4.350800       3.403700     -0.7528000    
 H   -2.076600       4.303700      -1.130400    


%chk=000040294-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040294

0 1
O 2.146247 -0.158179 0.002810
O -4.967907 1.007952 -0.315354
O 1.564232 1.908518 -0.916872
N 5.835550 -0.776626 -0.088755
N -0.063799 0.509515 0.109774
C 6.484683 0.256153 0.761514
C 6.608714 -2.045690 -0.081954
C 7.916991 0.556304 0.274889
C 8.045924 -1.819452 -0.593940
C 8.763187 -0.736549 0.244198
C 4.404479 -0.973370 0.240140
C 3.548040 0.118811 -0.414147
C 1.220143 0.855611 -0.320236
C -6.977380 -2.206862 0.106710
C -6.652723 -0.714103 -0.130318
C -8.492615 -2.505871 0.037166
C -5.149487 -0.433545 -0.071755
C -1.213175 1.342391 -0.157330
C -3.659773 1.521884 -0.333989
C -2.502667 0.738561 -0.113164
C -8.821634 -3.996605 0.265312
C -0.283131 -0.778757 0.808787
C -1.102183 2.731433 -0.429383
C -3.554965 2.907495 -0.599088
C -2.274692 3.488970 -0.646359
H 5.877351 1.178880 0.732903
H 6.523980 -0.081666 1.832313
H 6.654944 -2.486900 0.949832
H 6.086554 -2.774088 -0.730045
H 7.863670 0.990224 -0.742017
H 8.379465 1.311231 0.939506
H 8.602677 -2.775717 -0.557845
H 7.998359 -1.496910 -1.652002
H 8.905052 -1.107384 1.280808
H 9.769995 -0.532220 -0.166379
H 4.081043 -1.954411 -0.153511
H 4.212808 -0.982808 1.341564
H 3.825481 1.136195 -0.088215
H 3.617631 0.074261 -1.514381
H -6.590282 -2.522470 1.098443
H -6.450228 -2.828428 -0.647404
H -7.035952 -0.395791 -1.118723
H -7.162997 -0.089900 0.628068
H -8.880158 -2.186604 -0.951555
H -9.020230 -1.888350 0.792085
H -4.608275 -1.014954 -0.848620
H -4.735098 -0.700840 0.924026
H -2.601102 -0.332931 0.067751
H -9.909546 -4.183212 0.206381
H -8.475220 -4.333076 1.260853
H -8.328388 -4.632579 -0.493943
H -0.991191 -0.625892 1.640799
H 0.673078 -1.139069 1.205670
H -0.686841 -1.549631 0.124738
H -0.121334 3.200556 -0.490493
H -4.465816 3.489656 -0.764145
H -2.179195 4.560544 -0.853515


