%chk=000045956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045956

1 1
 O  -0.1601000     -0.7105000     -0.1763000    
 O   -1.414100      0.7660000       1.057400    
 N    3.478200      0.1172000     -0.1172000    
 N   -2.388100      -1.025800     -4.8400000E-02
 C    2.217200     -0.6431000     -0.5016000    
 C    3.626300      0.1213000       1.397500    
 C    4.689000     -0.5595000     -0.7435000    
 C    3.380600       1.549900     -0.6211000    
 C    1.017300      1.6100001E-02  0.1495000    
 C   -1.333300     -0.2296000      0.3455000    
 C   -3.760400     -0.7865000      0.3349000    
 C   -4.403100      9.8399997E-02 -0.6807000    
 C   -4.949400       1.286000     -0.3960000    
 H    2.130700     -0.6435000      -1.594800    
 H    2.326900      -1.683400     -0.1722000    
 H    3.496300     -0.8999000       1.767900    
 H    4.634300      0.4765000       1.636000    
 H    2.905000      0.8075000       1.848000    
 H    4.562000     -0.5565000      -1.830100    
 H    5.587200     -8.9999998E-04 -0.4634000    
 H    4.744800      -1.584900     -0.3662000    
 H    3.104400       1.532600      -1.679500    
 H    2.654100       2.111400     -2.8800000E-02
 H    4.363400       2.017200     -0.5005000    
 H    1.093400      2.0199999E-02   1.240000    
 H   0.8742000       1.039300     -0.2092000    
 H   -2.188500      -1.818300     -0.6516000    
 H   -4.270400      -1.754300      0.3646000    
 H   -3.784500     -0.3489000       1.338600    
 H   -4.439900     -0.2562000      -1.707800    
 H   -5.409300       1.880700      -1.177700    
 H   -4.947100       1.684400      0.6126000    


%chk=000045956-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045956

1 1
O -0.146732 -0.697635 -0.130424
O -1.496582 0.762995 1.142947
N 3.536260 0.146985 -0.094223
N -2.407543 -1.078423 -0.019735
C 2.169540 -0.518954 -0.382048
C 3.870840 0.081893 1.396982
C 4.603026 -0.624917 -0.875528
C 3.542515 1.605263 -0.557256
C 0.971664 0.143212 0.313179
C -1.418718 -0.244536 0.402354
C -3.834574 -0.809428 0.295957
C -4.531246 0.008437 -0.778227
C -5.060429 1.236925 -0.561446
H 2.025107 -0.495672 -1.475490
H 2.252476 -1.570849 -0.059987
H 3.810232 -0.964651 1.732247
H 4.891415 0.465753 1.548021
H 3.158238 0.698204 1.962763
H 4.368942 -0.574043 -1.949660
H 5.587784 -0.171621 -0.685504
H 4.603708 -1.673989 -0.543009
H 3.239018 1.647302 -1.614396
H 2.843857 2.191223 0.056202
H 4.560338 2.008605 -0.443400
H 1.040284 0.123240 1.416342
H 0.802673 1.187766 -0.006259
H -2.160088 -1.849262 -0.641939
H -4.331931 -1.788644 0.425802
H -3.868218 -0.278986 1.261892
H -4.609681 -0.455415 -1.772443
H -5.574743 1.787386 -1.356826
H -5.000332 1.724736 0.419011


