%chk=000113253.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113253

0 1
 O    1.446600      0.3906000     -0.6800000    
 O   -1.987400       3.357000      0.6431000    
 O   -2.775100      -2.477900     -0.6067000    
 O   -4.382300       2.406600      0.8449000    
 O    6.042200     -0.8083000       3.131000    
 N  -0.3021000      -1.729700     -0.8724000    
 C   -2.141200     -0.2322000     -0.1853000    
 C   -2.564900       1.042900      0.1949000    
 C  -0.7920000     -0.4603000     -0.4814000    
 C   -4.527800      -1.091300      3.6100000E-02
 C   -4.951500      0.1838000      0.4163000    
 C   -3.107100      -1.346000     -0.2782000    
 C   0.1269000      0.5861000     -0.3966000    
 C   -3.985600       1.297700      0.5094000    
 C   -1.639300       2.090000      0.2791000    
 C    3.118800      0.3765000      -2.420700    
 C    2.000500       1.161200      -1.743600    
 C  -0.2959000       1.858400     -1.7200001E-02
 C    4.256300      6.8700001E-02  -1.477300    
 C   -5.453300      -2.138300     -4.8500001E-02
 C   -6.300800      0.4120000      0.7116000    
 C    6.345700     -0.4974000      0.2540000    
 C    4.229900      -1.105600     -0.7419000    
 C    5.306600      0.9659000      -1.363900    
 C    7.470200     -0.8019000       1.185100    
 C    5.281400      -1.390600      0.1294000    
 C    6.357900      0.6810000     -0.4924000    
 C   -6.797100      -1.906600      0.2467000    
 C   -7.219900     -0.6341000      0.6258000    
 C    7.240200     -0.2580000       2.598400    
 H    2.720800     -0.5668000      -2.816600    
 H    3.495900      0.9376000      -3.284500    
 H    1.233600       1.395500      -2.493300    
 H    2.384800       2.102900      -1.334100    
 H   0.4254000       2.668800      5.7200000E-02
 H   -5.151700      -3.140300     -0.3415000    
 H   -6.657500       1.394300       1.009700    
 H    3.406800      -1.808700     -0.8319000    
 H    5.324000       1.886900      -1.939500    
 H    8.408900     -0.3971000      0.7872000    
 H    7.608300      -1.890000       1.233000    
 H    5.258800      -2.313100      0.7036000    
 H    7.180100       1.386200     -0.4024000    
 H   0.6824000      -1.841500      -1.077900    
 H  -0.9192000      -2.524900     -0.9516000    
 H   -7.514600      -2.719300      0.1809000    
 H   -8.266700     -0.4563000      0.8549000    
 H    7.137100      0.8318000       2.590200    
 H    8.072900     -0.5213000       3.257900    
 H   -1.199800       3.927100      0.6367000    
 H    6.154700      -1.773600       3.166900    


%chk=000113253-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113253

0 1
O 1.387494 0.578285 -1.850067
O -2.489251 3.524237 -1.230081
O -2.012880 -2.371209 0.439125
O -4.634042 2.478188 -0.090697
O 6.097355 -3.380737 1.943546
N 0.120702 -1.427660 -0.681183
C -1.919777 -0.075667 -0.332843
C -2.594134 1.204049 -0.474642
C -0.572551 -0.251272 -0.797104
C -3.987557 -1.051175 0.780390
C -4.656185 0.194980 0.640987
C -2.594464 -1.222483 0.295950
C 0.094019 0.869644 -1.417772
C -3.990269 1.381711 0.007848
C -1.883880 2.273309 -1.079813
C 3.581196 1.076927 -2.763673
C 2.210005 1.670421 -2.402927
C -0.546552 2.100097 -1.547163
C 4.358185 0.560603 -1.560515
C -4.653429 -2.147913 1.387127
C -5.986945 0.330025 1.110990
C 5.775097 -0.410325 0.740385
C 4.411187 -0.823583 -1.264727
C 5.029484 1.454824 -0.689556
C 6.547114 -0.894363 1.964777
C 5.110575 -1.307035 -0.137216
C 5.721781 0.976541 0.443619
C -5.973988 -2.005101 1.851168
C -6.643494 -0.760514 1.712108
C 5.954955 -2.118798 2.696000
H 3.425351 0.267167 -3.499660
H 4.150520 1.876686 -3.277403
H 1.711694 2.079449 -3.305827
H 2.305453 2.471042 -1.641655
H -0.031803 2.948234 -2.013367
H -4.109259 -3.092822 1.478264
H -6.475139 1.302080 0.989595
H 3.904985 -1.533522 -1.931395
H 5.013910 2.532946 -0.897150
H 6.615229 -0.062000 2.693512
H 7.596488 -1.131379 1.681618
H 5.144782 -2.380321 0.077569
H 6.228554 1.689518 1.106634
H 1.088149 -1.462282 -0.998373
H -0.381582 -2.208897 -0.228253
H -6.486075 -2.852940 2.319192
H -7.671899 -0.649691 2.073237
H 4.867258 -2.004540 2.833304
H 6.427709 -2.219738 3.695821
H -1.861166 4.155644 -1.667953
H 7.061992 -3.572240 1.822848


