%chk=000105734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105734

0 1
 O   -2.538700     -0.4035000     -0.5257000    
 O    2.954500      0.1481000     -0.6883000    
 O    2.097600      -2.790700      -2.107500    
 O    2.190200      -3.050100      7.0500001E-02
 N   -1.373800       2.125400     -0.2723000    
 N    1.803200      -2.424800     -0.9451000    
 C   -2.675800       2.132100      0.3902000    
 C  -0.9994000       3.458300     -0.7387000    
 C   -2.977200       3.616000      0.5863000    
 C   -2.286300       4.268100     -0.5986000    
 C  -0.5951000       1.000300     -0.4381000    
 C   -1.184100     -0.2581000     -0.5629000    
 C   0.7933000       1.128000     -0.4803000    
 C    1.592700     -2.7999999E-03 -0.6479000    
 C  -0.3845000      -1.388900     -0.7298000    
 C    1.003900      -1.261300     -0.7725000    
 C   -3.044000      -1.634000     -1.1800000E-02
 C   -4.405800      -1.381100      0.6192000    
 C    3.571000      0.7159000      0.4590000    
 C    4.987800      0.1720000      0.5760000    
 C   -5.000700      -2.657900       1.206200    
 C    5.706400      0.7302000       1.801100    
 C   -6.340800      -2.392700       1.873300    
 C    7.105500      0.1516000       1.938100    
 H   -3.451800       1.715600     -0.2607000    
 H   -2.666300       1.605600       1.350200    
 H  -0.2189000       3.881800     -9.6299998E-02
 H  -0.6523000       3.454900      -1.777400    
 H   -4.049800       3.825700      0.6236000    
 H   -2.526000       3.969500       1.521400    
 H   -2.096000       5.334400     -0.4481000    
 H   -2.901900       4.152900      -1.499000    
 H    1.267500       2.101300     -0.3862000    
 H  -0.8141000      -2.378700     -0.8614000    
 H   -3.139300      -2.353500     -0.8334000    
 H   -2.387200      -2.046800      0.7651000    
 H   -4.306400     -0.6164000       1.399700    
 H   -5.082700     -0.9555000     -0.1320000    
 H    3.007100      0.4685000       1.367900    
 H    3.594500       1.805900      0.3473000    
 H    4.950700     -0.9237000      0.6248000    
 H    5.547800      0.4123000     -0.3364000    
 H   -5.132500      -3.405100      0.4150000    
 H   -4.312700      -3.085500       1.944800    
 H    5.133800      0.4992000       2.707000    
 H    5.772400       1.822000       1.728500    
 H   -7.063700      -1.992200       1.155400    
 H   -6.749500      -3.320700       2.285300    
 H   -6.236000      -1.674500       2.692800    
 H    7.071100     -0.9371000       2.047400    
 H    7.602400      0.5660000       2.820800    
 H    7.716000      0.3900000       1.061200    


%chk=000105734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105734

0 1
O -2.666379 -0.504578 0.352001
O 2.993738 -0.581388 0.481496
O 0.694728 -4.141545 0.591526
O 2.784107 -3.224638 0.557871
N -1.194946 1.938772 0.353365
N 1.494981 -3.105981 0.552876
C -2.637950 2.217492 0.631847
C -0.432266 3.199160 0.161937
C -2.669480 3.739973 0.896763
C -1.523740 4.279934 0.007530
C -0.556178 0.709946 0.403992
C -1.258762 -0.555429 0.424609
C 0.869710 0.654442 0.415279
C 1.603646 -0.553907 0.461706
C -0.541682 -1.750024 0.480477
C 0.879029 -1.785705 0.501465
C -3.388345 -1.791702 0.332908
C -4.883130 -1.478849 0.236840
C 3.729326 0.701209 0.436308
C 5.218152 0.350368 0.455433
C -5.739660 -2.767164 0.228395
C 6.108388 1.614726 0.426443
C -7.250963 -2.468862 0.129723
C 7.613428 1.270947 0.443372
H -3.260719 1.944263 -0.239453
H -2.990426 1.625295 1.489812
H 0.210753 3.411208 1.044155
H 0.222958 3.129036 -0.727093
H -3.650815 4.179680 0.652106
H -2.454454 3.948149 1.961292
H -1.166343 5.277066 0.314060
H -1.853228 4.339200 -1.045896
H 1.421538 1.594108 0.411116
H -1.039197 -2.721615 0.494538
H -3.048182 -2.391015 -0.537341
H -3.159010 -2.357508 1.260097
H -5.175825 -0.840390 1.093199
H -5.074208 -0.894806 -0.684307
H 3.454447 1.319498 1.317112
H 3.460040 1.252832 -0.489251
H 5.433295 -0.246450 1.361542
H 5.445812 -0.296056 -0.412755
H -5.433486 -3.409293 -0.622152
H -5.537347 -3.350833 1.149203
H 5.867660 2.258626 1.297363
H 5.877040 2.211828 -0.479709
H -7.486562 -1.913941 -0.797694
H -7.844135 -3.401181 0.125503
H -7.591512 -1.855193 0.984770
H 7.879250 0.703329 1.354445
H 8.236260 2.183681 0.418313
H 7.886745 0.649285 -0.429436


