%chk=000129447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129447

0 1
 O   -5.435700     -0.9719000     -0.5944000    
 O   -2.897600       2.939700     -4.2300001E-02
 O    8.739000       1.717700      0.1304000    
 O    8.698600     -0.5587000      0.2757000    
 N   -3.120000      -1.169600     -0.4835000    
 N   -4.194200      0.9949000     -0.3176000    
 N  -0.5165000       1.141400     -9.5299996E-02
 N  -0.6654000      -1.070100     -0.3346000    
 C   -1.910800     -0.5017000     -0.3459000    
 C   -1.847900      0.8573000     -0.2006000    
 C   -3.136200      -2.619100     -0.6354000    
 C   -4.330100     -0.4317000     -0.4749000    
 C   -5.428900       1.772100     -0.3049000    
 C   -2.982700       1.722100     -0.1738000    
 C   -3.222100      -3.294000      0.7312000    
 C   0.1548000     -5.0900001E-02 -0.1817000    
 C   -5.956500       1.905200       1.121300    
 C    1.594300     -0.1237000     -0.1068000    
 C   -3.218900      -4.809500      0.6016000    
 C   -7.256400       2.694000       1.159600    
 C    2.208200      -1.260400      0.4183000    
 C    2.370500      0.9429000     -0.5592000    
 C    3.599400      -1.330500      0.4913000    
 C    3.761700      0.8729000     -0.4862000    
 C    4.376000     -0.2639000      3.9099999E-02
 C    5.826800     -0.3380000      0.1139000    
 C    6.665900      0.7209000      7.9899997E-02
 C    8.124600      0.5125000      0.1749000    
 H   -4.005100      -2.902500      -1.240900    
 H   -2.243500      -2.942600      -1.183300    
 H   -5.241700       2.765900     -0.7280000    
 H   -6.178300       1.287400     -0.9408000    
 H  -0.1135000       2.060100      3.6100000E-02
 H   -2.377200      -2.986300       1.358800    
 H   -4.133400      -2.976500       1.251900    
 H   -6.125100      0.9128000       1.556200    
 H   -5.212600       2.403600       1.754100    
 H   -4.072600      -5.154000      9.3000000E-03
 H   -2.300900      -5.159500      0.1188000    
 H   -3.281400      -5.274500       1.590400    
 H   -7.113200       3.705000      0.7649000    
 H   -8.032700       2.199700      0.5670000    
 H   -7.617600       2.779200       2.189200    
 H    1.621100      -2.101600      0.7793000    
 H    1.923600       1.835500     -0.9899000    
 H    4.060400      -2.224000      0.9054000    
 H    4.326200       1.717200     -0.8710000    
 H    6.238700      -1.339900      0.2164000    
 H    6.319300       1.745300      5.2000000E-03
 H    9.714800       1.635100      0.1897000    


%chk=000129447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129447

0 1
O -5.453274 -1.055758 -0.488490
O -3.114692 3.044999 -0.210276
O 9.120610 1.444838 0.239421
O 8.837736 -0.864866 0.112775
N -3.116595 -1.150538 -0.428426
N -4.277021 0.978518 -0.371698
N -0.559413 1.296348 -0.194577
N -0.645249 -0.976081 -0.303775
C -1.924275 -0.451018 -0.336072
C -1.907450 0.952527 -0.270318
C -3.134329 -2.635243 -0.462713
C -4.346809 -0.447670 -0.429774
C -5.579450 1.702159 -0.370830
C -3.087241 1.776450 -0.276861
C -3.203815 -3.256453 0.949612
C 0.181922 0.116252 -0.217792
C -6.168201 1.849233 1.049827
C 1.640163 0.044778 -0.156952
C -3.223278 -4.797830 0.878587
C -7.514060 2.603129 1.017148
C 2.267928 -1.231236 -0.194164
C 2.459664 1.207910 -0.060935
C 3.666005 -1.335358 -0.137525
C 3.856303 1.098143 -0.004621
C 4.494219 -0.177937 -0.041928
C 5.947831 -0.352048 0.012888
C 6.896618 0.631934 0.102153
C 8.327706 0.284160 0.147326
H -4.016091 -2.936378 -1.052893
H -2.215561 -2.959735 -0.981462
H -5.389434 2.696788 -0.808420
H -6.274104 1.135554 -1.012767
H -0.215344 2.254073 -0.137364
H -2.332083 -2.915684 1.539888
H -4.115709 -2.890349 1.457047
H -6.310413 0.842862 1.485787
H -5.445162 2.393942 1.685783
H -4.102565 -5.160266 0.314026
H -2.315211 -5.187764 0.381320
H -3.268465 -5.238881 1.890127
H -7.394034 3.617782 0.593220
H -8.258583 2.062901 0.402987
H -7.931336 2.710371 2.034281
H 1.634623 -2.119998 -0.267543
H 2.011804 2.208505 -0.028506
H 4.136611 -2.325114 -0.167625
H 4.459565 2.008802 0.069349
H 6.320017 -1.386653 -0.021941
H 6.656555 1.698461 0.143513
H 10.078568 1.176740 0.268084


