%chk=000048246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048246

0 1
 O  -0.5190000      2.3399999E-02 -0.6675000    
 O   0.3213000      -1.635700      0.6892000    
 N   -4.575700      0.4529000      0.7358000    
 C   -4.263500      0.2193000     -0.6931000    
 C   -4.516400      -1.256500      -1.061800    
 C   -5.938700      -1.689900     -0.7306000    
 C   -5.970200      8.8399999E-02   1.042500    
 C   -6.256900      -1.376900      0.7230000    
 C   -2.807100      0.5564000      -1.043600    
 C   -4.341800       1.841700       1.142200    
 C   -1.842100     -0.3546000     -0.3135000    
 C    1.844500     -0.2293000     -0.6062000    
 C   0.4905000     -0.7062000     -8.9900002E-02
 C    3.000300      -1.108100     -0.1449000    
 C    2.114900       1.247800     -0.3521000    
 C    3.636800     -0.8027000       1.040000    
 C    2.914700       1.940300      -1.237500    
 C    3.373300      -2.181600     -0.9264000    
 C    1.551300       1.847400      0.7549000    
 C    4.694800      -1.607300       1.462500    
 C    3.162200       3.293200      -1.005100    
 C    4.431400      -2.986300     -0.5036000    
 C    1.798800       3.200300      0.9873000    
 C    5.092100      -2.699100      0.6910000    
 C    2.604300       3.923200      0.1072000    
 H   -4.915000      0.8506000      -1.313500    
 H   -4.327200      -1.418900      -2.129600    
 H   -3.862300      -1.936800     -0.5079000    
 H   -6.644500      -1.163900      -1.384900    
 H   -6.061200      -2.761900     -0.9208000    
 H   -6.668800      0.7298000      0.4887000    
 H   -6.167200      0.2414000       2.110900    
 H   -7.309700      -1.601700      0.9281000    
 H   -5.658300      -2.021800       1.378900    
 H   -2.566000       1.608300     -0.8537000    
 H   -2.655600      0.4363000      -2.125200    
 H   -4.886100       2.553100      0.5111000    
 H   -4.656600       1.998800       2.180800    
 H   -3.277100       2.092500       1.122500    
 H   -1.956600      -1.399100     -0.6122000    
 H   -1.958400     -0.2686000      0.7724000    
 H    1.767700     -0.3478000      -1.699100    
 H    3.342300      2.1700000E-02   1.678900    
 H    3.353700       1.457400      -2.105300    
 H    2.863400      -2.415000      -1.856000    
 H   0.9343000       1.305800       1.464800    
 H    5.206000      -1.387400       2.395300    
 H    3.789800       3.855900      -1.690000    
 H    4.740200      -3.837300      -1.103800    
 H    1.367500       3.690300       1.855300    
 H    5.914800      -3.326700       1.021000    
 H    2.797800       4.976300      0.2888000    


%chk=000048246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048246

0 1
O -0.562709 0.192909 -0.586439
O 0.278549 0.026306 1.576366
N -4.876030 0.440305 -0.036617
C -4.303591 -0.611705 -0.932426
C -4.458057 -2.012427 -0.284414
C -5.923083 -2.324178 0.083347
C -6.297928 0.162390 0.309046
C -6.472187 -1.204910 0.992763
C -2.821011 -0.324922 -1.289199
C -4.748917 1.808185 -0.589126
C -1.925911 -0.145255 -0.060924
C 1.800673 0.535277 -0.332146
C 0.462579 0.237411 0.354552
C 2.690805 -0.722940 -0.268805
C 2.503631 1.784344 0.227282
C 3.236304 -1.179781 0.957284
C 3.291687 2.558125 -0.663475
C 2.964075 -1.445464 -1.456183
C 2.433531 2.171560 1.589591
C 4.044295 -2.336928 0.989837
C 3.999322 3.691324 -0.207211
C 3.776106 -2.602338 -1.424800
C 3.138714 3.309035 2.045212
C 4.319445 -3.051574 -0.200085
C 3.925397 4.071800 1.152929
H -4.873971 -0.627480 -1.902998
H -4.061540 -2.770435 -0.987554
H -3.843148 -2.056949 0.634904
H -6.536693 -2.383838 -0.839555
H -5.994147 -3.308652 0.583224
H -6.944905 0.192607 -0.609132
H -6.646024 0.969695 0.980567
H -7.543704 -1.367675 1.217952
H -5.922583 -1.200789 1.953721
H -2.739822 0.575074 -1.925358
H -2.443348 -1.171053 -1.894009
H -5.227053 1.921890 -1.595519
H -5.235295 2.520568 0.100611
H -3.690657 2.105136 -0.679110
H -1.839857 -1.058618 0.551900
H -2.267790 0.675060 0.592435
H 1.565176 0.721594 -1.393799
H 3.024476 -0.634266 1.882511
H 3.355965 2.266563 -1.719319
H 2.538707 -1.103470 -2.407896
H 1.818138 1.592010 2.285301
H 4.460444 -2.681692 1.943257
H 4.603442 4.276284 -0.910029
H 3.982225 -3.149620 -2.351637
H 3.071815 3.598626 3.100196
H 4.949547 -3.947712 -0.172098
H 4.471616 4.951995 1.510375


