%chk=000046143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046143

0 1
 O    8.577500      -1.664600     -0.5097000    
 O    2.674400      0.7606000     -4.4500001E-02
 O   -5.023500      0.8940000      0.5298000    
 O    1.235900     -0.7767000      0.8485000    
 N    6.217000     -0.2292000      0.1757000    
 N   0.4793000       1.228000     -9.4300002E-02
 C    7.466800      0.4648000     -0.1648000    
 C    6.155700      -1.524100     -0.5164000    
 C    5.057800      0.5945000     -0.1608000    
 C    8.661500     -0.4186000      0.1832000    
 C    7.380900      -2.360600     -0.1591000    
 C    3.771300     -8.1000000E-02  0.2864000    
 C   -7.688200      -1.695600     -6.2600002E-02
 C   -7.018200     -0.3243000     -1.1800000E-02
 C   -9.100800      -1.603400     -0.6387000    
 C   -5.595400     -0.4130000      0.5217000    
 C  -0.9241000       1.157700      5.9000000E-02
 C   -3.674200      0.9807000      0.3743000    
 C   -1.729700       2.191500     -0.3937000    
 C    1.424800      0.2984000      0.2925000    
 C   -9.758700      -2.971600     -0.7225000    
 C   -3.112800       2.102700     -0.2354000    
 C   -1.469500      3.6600001E-02  0.6672000    
 C   -2.852700     -5.2200001E-02  0.8258000    
 C   -1.155500       3.405100      -1.050000    
 H    7.489600      0.7031000      -1.236300    
 H    7.545300       1.404300      0.3941000    
 H    5.289200      -2.117300     -0.2135000    
 H    6.114900      -1.377600      -1.603500    
 H    5.127300       1.567800      0.3424000    
 H    5.009900      0.8132000      -1.236100    
 H    8.727400     -0.6036000       1.262500    
 H    9.590200      7.1800001E-02 -0.1257000    
 H    7.367600      -3.300700     -0.7200000    
 H    7.403100      -2.611900      0.9085000    
 H    3.785800     -0.2525000       1.369500    
 H    3.604300      -1.030600     -0.2292000    
 H   -7.728200      -2.123900      0.9463000    
 H   -7.086500      -2.375400     -0.6783000    
 H   -7.601200      0.3608000      0.6164000    
 H   -7.001500      0.1271000      -1.011800    
 H   -9.715300     -0.9449000     -1.3900000E-02
 H   -9.066600      -1.160700      -1.641100    
 H   -5.033000      -1.094100     -0.1302000    
 H   -5.600400     -0.8071000       1.544600    
 H   -10.76820      -2.882100      -1.135700    
 H   -9.836500      -3.430600      0.2683000    
 H   -9.185500      -3.643800      -1.368900    
 H   -3.763100       2.901600     -0.5831000    
 H   0.8483000       2.060900     -0.5437000    
 H  -0.9049000     -0.8009000       1.049100    
 H   -3.247800     -0.9288000       1.330700    
 H  -0.4802000       3.929700     -0.3659000    
 H   -1.935800       4.116900      -1.341400    
 H  -0.6137000       3.130200      -1.961000    


%chk=000046143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046143

0 1
O 9.150553 -1.183154 -0.021539
O 2.791181 0.608229 -0.117175
O -5.078357 0.624020 -0.444344
O 1.346437 -1.207796 0.306705
N 6.426168 -0.196495 0.220589
N 0.569180 0.952715 -0.307086
C 7.594644 0.700591 0.420293
C 6.772936 -1.282761 -0.734985
C 5.196190 0.540774 -0.149322
C 8.797376 -0.112246 0.925589
C 7.989810 -2.067532 -0.217848
C 3.943407 -0.262298 0.223782
C -8.148209 -1.580523 0.082355
C -7.288413 -0.340250 -0.253485
C -9.664371 -1.311114 -0.053751
C -5.791089 -0.624836 -0.119621
C -0.849457 0.803153 -0.326533
C -3.673942 0.604079 -0.384056
C -1.632159 1.952360 -0.669554
C 1.519944 -0.003687 -0.008774
C -10.525509 -2.546364 0.286272
C -3.034427 1.829703 -0.691797
C -1.485688 -0.422534 -0.019570
C -2.893024 -0.526044 -0.047099
C -0.973837 3.281106 -1.003225
H 7.881244 1.222473 -0.527478
H 7.332450 1.470416 1.170403
H 5.916711 -1.974070 -0.839154
H 7.006914 -0.868720 -1.748551
H 5.176422 1.490740 0.415655
H 5.160909 0.802708 -1.235058
H 8.556089 -0.553381 1.916727
H 9.698117 0.518228 1.007973
H 8.315840 -2.823606 -0.950990
H 7.729927 -2.563375 0.742065
H 3.929688 -0.488484 1.304312
H 3.853350 -1.210701 -0.334824
H -7.930628 -1.916514 1.117923
H -7.867463 -2.422373 -0.584840
H -7.554808 0.497671 0.419099
H -7.498382 -0.002502 -1.286552
H -9.944787 -0.467987 0.609759
H -9.883017 -0.978393 -1.088738
H -5.474918 -1.427038 -0.819763
H -5.537612 -0.939662 0.914980
H -11.604041 -2.328843 0.179805
H -10.348963 -2.878860 1.326659
H -10.284238 -3.394437 -0.382116
H -3.660511 2.690109 -0.949580
H 0.949311 1.872944 -0.534112
H -0.874802 -1.289677 0.240111
H -3.355954 -1.486752 0.194760
H -0.375330 3.673858 -0.156477
H -1.733125 4.043255 -1.241829
H -0.303643 3.204474 -1.883088


