%chk=000048263.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048263

0 1
 O   0.6165000      -1.520000      0.4428000    
 O   -1.109400      -2.310100     -0.8596000    
 N    3.327400     -0.1721000       1.079100    
 C   -1.415600     -0.3043000      0.5383000    
 C  -0.7969000       1.030400      0.2929000    
 C   -2.908600     -0.3499000      0.1827000    
 C  -0.6525000      -1.494400     -6.8899997E-02
 C  -0.9610000       2.056900       1.223000    
 C   -3.326400      0.2781000     -0.9652000    
 C  -5.3599998E-02   1.252100     -0.8666000    
 C   -3.761700      -1.017000       1.027300    
 C    1.442800      -2.599300     -5.2000000E-03
 C    2.818800      -2.498800      0.6439000    
 C  -0.3822000       3.305100      0.9936000    
 C   -4.682600      0.2367000      -1.288600    
 C   0.5252000       2.500400      -1.095800    
 C   -5.117900      -1.058500      0.7039000    
 C    3.537800      -1.225200      0.2705000    
 C   0.3609000       3.526900     -0.1656000    
 C   -5.578300     -0.4316000     -0.4541000    
 C    4.343500      -1.223100     -0.8465000    
 C    4.991500     -3.4100000E-02  -1.162700    
 C    3.973800      0.9660000      0.7402000    
 C    4.808400       1.085900     -0.3593000    
 H   -1.349500     -0.4852000       1.623800    
 H   -1.538200       1.898600       2.130300    
 H   -2.654200      0.7870000      -1.645900    
 H   8.1699997E-02  0.4771000      -1.615700    
 H   -3.411200      -1.509900       1.928600    
 H   0.9770000      -3.549400      0.2808000    
 H    1.530800      -2.558100      -1.097600    
 H    2.707100      -2.519300       1.735600    
 H    3.428100      -3.369000      0.3726000    
 H  -0.5103000       4.104500       1.717600    
 H   -5.040700      0.7202000      -2.192800    
 H    1.102400       2.673900      -1.999300    
 H   -5.815400      -1.579900       1.353000    
 H   0.8115000       4.498700     -0.3444000    
 H   -6.634100     -0.4653000     -0.7067000    
 H    4.476400      -2.102700      -1.466200    
 H    5.637200      1.9800000E-02  -2.034100    
 H    3.796000       1.810800       1.397400    
 H    5.302300       2.023500     -0.5872000    


%chk=000048263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048263

0 1
O 0.657070 -1.357461 -0.042452
O -0.415801 -0.964372 -2.068253
N 3.609811 -1.731531 2.113425
C -1.022629 0.353545 -0.033920
C -0.962725 1.769138 -0.629094
C -2.467119 -0.149643 0.174181
C -0.257262 -0.688969 -0.855866
C -0.991851 2.866069 0.270577
C -3.416292 -0.123771 -0.877898
C -0.920434 2.029600 -2.022333
C -2.850172 -0.665137 1.436949
C 1.435004 -2.453347 -0.692561
C 2.439247 -2.968542 0.342234
C -0.982780 4.194652 -0.206156
C -4.727790 -0.601453 -0.665485
C -0.906455 3.360562 -2.499319
C -4.164079 -1.140655 1.650947
C 3.490338 -1.952473 0.766459
C -0.939994 4.447553 -1.597118
C -5.107682 -1.109671 0.599206
C 4.315622 -1.286849 -0.177635
C 5.282780 -0.364828 0.275507
C 4.552154 -0.838837 2.538415
C 5.406752 -0.130758 1.664657
H -0.534877 0.375248 0.955478
H -1.027521 2.676636 1.350634
H -3.130132 0.269957 -1.858607
H -0.884282 1.192917 -2.727447
H -2.118010 -0.696861 2.253254
H 0.728096 -3.244716 -1.000936
H 1.915708 -2.050281 -1.602280
H 1.907843 -3.300604 1.249725
H 2.934736 -3.858446 -0.097205
H -1.005844 5.028802 0.504278
H -5.454461 -0.576204 -1.485435
H -0.869478 3.546477 -3.578872
H -4.448561 -1.533124 2.633763
H -0.930514 5.477703 -1.970712
H -6.127160 -1.476933 0.762337
H 4.202612 -1.489260 -1.248545
H 5.927484 0.159051 -0.438362
H 4.613129 -0.694109 3.623502
H 6.142317 0.576322 2.060865


