%chk=000060617.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060617

1 1
 O   0.3483000      0.4165000      0.9500000    
 O  -0.6853000      0.8579000      -1.064000    
 O  -0.9837000      -2.147400     -4.1900001E-02
 O   -2.899100      -2.347300       1.221700    
 N    4.317700     -0.1531000     -2.4800001E-02
 C    4.080700       1.000200      0.9726000    
 C    3.442100      0.3268000      -1.201200    
 C    4.232600       2.250000      8.9900002E-02
 C    3.817800       1.813100      -1.321000    
 C    2.650600      0.9105000       1.534700    
 C    1.955300      0.1770000     -0.8326000    
 C    1.570300      0.9428000      0.4426000    
 C    3.808300      -1.493900      0.5402000    
 C    5.782500     -0.4046000     -0.3770000    
 C  -0.7129000      0.4335000      8.4100001E-02
 C   -1.945200     -0.1451000      0.7633000    
 C   -3.210500      0.5215000      0.2509000    
 C   -2.036700      -1.663800      0.6848000    
 C   -3.681200       1.649400      0.8946000    
 C   -3.855900     -1.8700000E-02 -0.8444000    
 C   -4.843300       2.261200      0.4244000    
 C   -5.017800      0.5932000      -1.314600    
 C  -0.9180000      -3.571900     -0.1626000    
 C   -5.511500       1.733200     -0.6801000    
 C   0.2949000      -3.941300     -0.9896000    
 H    4.831900      0.9402000       1.766800    
 H    3.699400     -0.2553000      -2.092200    
 H    3.639400       3.097200      0.4497000    
 H    5.278500       2.578800      7.8000002E-02
 H    4.666300       1.933800      -2.005000    
 H    3.002400       2.426400      -1.718400    
 H    2.527000      4.4399999E-02   2.194600    
 H    2.478900       1.764900       2.204200    
 H    1.410100      0.5756000      -1.695100    
 H    1.655800     -0.8760000     -0.7881000    
 H    1.393200       1.996200      0.1857000    
 H    2.762000      -1.476400      0.8372000    
 H    4.422700      -1.739100       1.412600    
 H    3.943300      -2.252200     -0.2380000    
 H    6.211700      0.5123000     -0.7865000    
 H    5.825600      -1.202600      -1.123700    
 H    6.312800     -0.6894000      0.5363000    
 H   -1.851500      8.0399998E-02   1.835700    
 H   -3.166300       2.069100       1.753600    
 H   -3.481200     -0.8949000      -1.364600    
 H   -5.227200       3.149300      0.9178000    
 H   -5.536200      0.1846000      -2.177100    
 H   -1.826300      -3.938300     -0.6537000    
 H  -0.8368000      -4.019500      0.8341000    
 H   -6.415600       2.210200      -1.047000    
 H   0.3728000      -5.025600      -1.107600    
 H   0.2406000      -3.479600      -1.981000    
 H    1.210400      -3.570400     -0.5169000    


%chk=000060617-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060617

1 1
O 0.509500 0.466970 0.864056
O -0.624315 1.070147 -1.081686
O -1.375997 -2.023405 -0.327920
O -2.150822 -2.195033 1.867508
N 4.617361 -0.063692 0.328491
C 4.193905 1.331867 0.908169
C 3.800305 -0.048186 -1.014723
C 4.378529 2.267370 -0.320324
C 4.123964 1.363790 -1.577265
C 2.726218 1.267657 1.379175
C 2.301021 -0.221040 -0.702218
C 1.768610 0.908471 0.220344
C 4.318715 -1.244562 1.239783
C 6.117993 -0.094266 0.045698
C -0.661801 0.585990 0.062508
C -1.848711 0.041788 0.851642
C -3.212058 0.514473 0.338483
C -1.805574 -1.503389 0.890813
C -4.110605 1.127078 1.245632
C -3.602685 0.318301 -1.009805
C -5.387094 1.547736 0.810388
C -4.877801 0.742023 -1.442368
C -1.464838 -3.518468 -0.474286
C -5.772897 1.356521 -0.535752
C -0.988871 -3.854604 -1.881941
H 4.871305 1.564559 1.747233
H 4.177041 -0.873330 -1.642906
H 3.660031 3.100158 -0.262252
H 5.383434 2.718879 -0.340593
H 4.998813 1.345103 -2.247205
H 3.275109 1.726114 -2.178433
H 2.593249 0.557880 2.213751
H 2.460843 2.259993 1.784599
H 1.749422 -0.196037 -1.658379
H 2.087507 -1.206811 -0.253254
H 1.540133 1.798722 -0.394465
H 3.252476 -1.304444 1.480033
H 4.895807 -1.124538 2.170217
H 4.630667 -2.169118 0.729049
H 6.405425 0.740639 -0.603901
H 6.366173 -1.046663 -0.447972
H 6.659591 -0.020520 1.001538
H -1.723177 0.356163 1.901796
H -3.818449 1.269642 2.293070
H -2.912204 -0.152711 -1.716023
H -6.076012 2.019683 1.518778
H -5.175058 0.592297 -2.485923
H -2.515409 -3.809860 -0.300430
H -0.842855 -3.978445 0.314554
H -6.762548 1.681074 -0.874631
H -1.048573 -4.946184 -2.041566
H -1.619179 -3.361798 -2.640999
H 0.058081 -3.540183 -2.038689


