%chk=000014368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014368

0 1
 O   -2.788500       2.063100     -0.8799000    
 O   0.1627000     -0.6860000       1.525000    
 O   -3.946100      -2.243400      0.2027000    
 N   -3.324400     -0.1205000     -0.4238000    
 N   -1.850400      -1.493500      0.7780000    
 N    4.131500     -0.3206000      0.3542000    
 C  -0.9898000      0.5942000     -0.1818000    
 C  -0.2704000       1.838800      0.3581000    
 C  -0.3259000      0.1543000      -1.498900    
 C   -2.438700      0.9435000     -0.5068000    
 C  -0.8279000     -0.5569000      0.8061000    
 C  -0.9182000       2.331500       1.634000    
 C   -3.093400      -1.354300      0.1724000    
 C    1.073300     -0.2002000      -1.274500    
 C    3.631200     -0.8587000     -0.9043000    
 C    2.225500     -0.4953000      -1.106200    
 C    4.031900       1.140100      0.3670000    
 C    5.517500     -0.7362000      0.5787000    
 H  -0.2836000       2.649200     -0.3819000    
 H   0.7811000       1.639300      0.5833000    
 H  -0.3918000      0.9543000      -2.247300    
 H  -0.8509000     -0.7084000      -1.929300    
 H   -1.955800       2.644800       1.489400    
 H  -0.8974000       1.582400       2.430900    
 H  -0.3728000       3.206600       2.005200    
 H   -4.267300      4.6000000E-02 -0.7644000    
 H   -1.706700      -2.339000       1.323100    
 H    3.703600      -1.953400     -0.8923000    
 H    4.229700     -0.5080000      -1.755000    
 H    4.453300       1.538800       1.297600    
 H    4.574000       1.599100     -0.4684000    
 H    2.997300       1.489200      0.3440000    
 H    5.876100     -0.3729000       1.548300    
 H    5.591600      -1.829100      0.6075000    
 H    6.192800     -0.3646000     -0.2006000    


%chk=000014368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014368

0 1
O -2.618938 2.316273 -0.802798
O -0.450478 -1.309966 1.543237
O -4.414076 -1.971554 -0.783311
N -3.461994 0.164275 -0.790700
N -2.351243 -1.631293 0.268000
N 4.677974 0.280672 0.020011
C -1.150236 0.565674 0.105659
C -0.572360 1.568285 1.142202
C -0.160149 0.454910 -1.149457
C -2.457565 1.106348 -0.499556
C -1.273783 -0.835949 0.723260
C -1.473299 1.787197 2.374736
C -3.471473 -1.205841 -0.464366
C 1.196986 0.019577 -0.808742
C 3.689796 -0.814623 -0.164770
C 2.343431 -0.336236 -0.526203
C 4.880409 1.077643 -1.206613
C 5.945282 -0.238315 0.572026
H -0.412542 2.529189 0.620253
H 0.412820 1.181796 1.455253
H -0.134610 1.465829 -1.600804
H -0.601484 -0.226850 -1.903929
H -2.457671 2.203816 2.092788
H -1.629602 0.847294 2.934344
H -0.997033 2.505660 3.065036
H -4.298025 0.509389 -1.273990
H -2.376006 -2.604402 0.590459
H 3.616142 -1.372057 0.789635
H 4.026773 -1.552959 -0.942198
H 5.562508 1.918174 -0.988912
H 5.314736 0.484218 -2.052150
H 3.914256 1.493861 -1.538638
H 6.631598 0.603735 0.768854
H 5.753643 -0.752255 1.531139
H 6.469312 -0.957314 -0.109653


