%chk=000048041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048041

0 1
 O  -0.2601000      -3.492500      0.6101000    
 O   -5.568200     -0.2317000     -0.1082000    
 N   0.6082000       2.891000     -0.8451000    
 N   0.6456000      -1.447700     -0.1142000    
 C    1.901200       2.985400     -0.1390000    
 C    1.872800       3.949900       1.061000    
 C   0.7073000       3.679400       2.007500    
 C  -0.5218000       2.644400      6.3000001E-02
 C  -0.6074000       3.617500       1.240000    
 C    2.379100       1.586600      0.2760000    
 C    2.445600      0.6557000     -0.9284000    
 C   0.3680000       4.055600      -1.698000    
 C    2.923500     -0.7172000     -0.5299000    
 C    2.019800      -1.698300     -0.1458000    
 C    4.287800     -0.9747000     -0.5572000    
 C    2.488600      -2.960600      0.2180000    
 C    4.756500      -2.237100     -0.1932000    
 C    3.857000      -3.230100      0.1945000    
 C  -0.3816000      -2.326800      0.2489000    
 C   -1.757100      -1.771500      0.1531000    
 C   -2.740400      -2.286800      0.9714000    
 C   -2.005400     -0.7593000     -0.7501000    
 C   -4.031300      -1.765700      0.8825000    
 C   -3.296200     -0.2382000     -0.8390000    
 C   -4.309200     -0.7414000     -2.2700001E-02
 C   -5.782400      0.8140000      -1.055100    
 H    2.658000       3.363800     -0.8408000    
 H    1.797200       4.981800      0.6951000    
 H    2.816100       3.891300       1.617200    
 H   0.8681000       2.735000       2.540200    
 H   0.6567000       4.465400       2.769300    
 H  -0.4430000       1.624900      0.4577000    
 H   -1.465900       2.659900     -0.4957000    
 H    1.729300       1.156200       1.047100    
 H    3.374300       1.669000      0.7335000    
 H  -0.8711000       4.619500      0.8811000    
 H   -1.411700       3.305100       1.916000    
 H    1.504200      0.5917000      -1.483100    
 H    3.152300       1.071700      -1.660700    
 H   0.2957000       4.993000      -1.137600    
 H    1.170800       4.160800      -2.436400    
 H  -0.5584000       3.927200      -2.269200    
 H    4.999300     -0.2094000     -0.8546000    
 H    1.863900      -3.784700      0.5300000    
 H    5.822100      -2.446600     -0.2109000    
 H   0.3777000     -0.4932000     -0.3197000    
 H    4.223600      -4.212600      0.4777000    
 H   -2.539700      -3.079500       1.685800    
 H   -1.258400     -0.3672000      -1.432500    
 H   -4.815900      -2.160400       1.522200    
 H   -3.444700      0.5506000      -1.568700    
 H   -6.837200       1.100100     -0.9875000    
 H   -5.193300       1.704700     -0.8113000    
 H   -5.609600      0.4699000      -2.080400    


%chk=000048041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048041

0 1
O -0.310735 -2.798721 1.142329
O -5.646056 0.079396 -0.896945
N 0.222496 2.176182 -0.075960
N 0.746088 -1.042138 -0.031773
C 1.575260 2.825431 -0.231214
C 1.733218 4.106635 0.641474
C 1.372923 3.854456 2.125466
C -0.160062 1.983267 1.361775
C -0.052601 3.262855 2.229967
C 2.680801 1.771877 0.017414
C 2.760319 0.731737 -1.145598
C -0.830747 2.879712 -0.853441
C 3.093476 -0.669714 -0.663584
C 2.095280 -1.511306 -0.069808
C 4.420075 -1.149772 -0.753948
C 2.463153 -2.793032 0.427671
C 4.785885 -2.425325 -0.270859
C 3.796573 -3.240047 0.322015
C -0.373122 -1.735115 0.444197
C -1.708808 -1.160108 0.060921
C -2.819005 -1.431917 0.908355
C -1.935399 -0.466363 -1.152209
C -4.108374 -0.997360 0.570425
C -3.231186 -0.035236 -1.515856
C -4.320458 -0.297040 -0.647062
C -5.931333 0.774771 -2.155143
H 1.647001 3.130457 -1.295999
H 1.068993 4.901685 0.245179
H 2.769955 4.484436 0.548796
H 2.098926 3.149268 2.578473
H 1.446374 4.797587 2.699370
H 0.499076 1.206164 1.795139
H -1.186416 1.573801 1.380722
H 2.496337 1.245752 0.971830
H 3.658441 2.277694 0.131632
H -0.795367 4.016362 1.898828
H -0.297069 3.009748 3.279620
H 1.791918 0.741632 -1.685493
H 3.523601 1.059748 -1.874916
H -1.000886 3.935958 -0.542270
H -0.551781 2.884390 -1.923149
H -1.784410 2.334803 -0.749228
H 5.177382 -0.503390 -1.215345
H 1.699176 -3.416356 0.893999
H 5.820966 -2.773737 -0.354772
H 0.573280 -0.066138 -0.338896
H 4.057469 -4.231641 0.708913
H -2.643305 -2.006581 1.823291
H -1.104120 -0.282922 -1.841860
H -4.968502 -1.195706 1.216756
H -3.379220 0.476874 -2.471238
H -7.015359 0.958952 -2.141253
H -5.389646 1.738948 -2.213925
H -5.670175 0.146989 -3.028916


