%chk=000126961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126961

0 1
 O   -1.913700      0.8992000       1.955700    
 O    3.210000       1.212100      5.3300001E-02
 O   0.7353000       1.191200      -1.006100    
 O   -1.202300      -5.307000     -0.8117000    
 O   -2.836400      -4.539200      0.5657000    
 N   -3.161700       1.277900      4.1900001E-02
 N  -1.7600000E-02 -0.3801000      0.5351000    
 C   -1.379300     -0.4752000      6.4199999E-02
 C   -2.177700      0.6134000      0.7827000    
 C   -1.975100      -1.857000      0.3535000    
 C   -3.964500       2.310600      0.6867000    
 C   -3.524200      0.9924000      -1.344600    
 C   -5.228800       1.748500       1.325500    
 C   -2.706800       1.808900      -2.338300    
 C   -1.230800      -2.973100     -0.3824000    
 C   -6.083700       2.823200       1.982200    
 C   -3.093200       1.533600      -3.784600    
 C   0.9284000      0.4511000     -4.5400001E-02
 C   -1.859500      -4.326200     -0.1387000    
 C    2.267900      0.3482000      0.6525000    
 C    4.529800      0.8292000      9.7300000E-02
 C    4.997100      5.6899998E-02   1.160800    
 C    5.401800       1.213500     -0.9215000    
 C    6.336200     -0.3309000       1.205700    
 C    6.740800      0.8255000     -0.8765000    
 C    7.208000      5.3399999E-02  0.1872000    
 H   -1.350800     -0.3014000      -1.012600    
 H   -3.034100      -1.869200      6.5600000E-02
 H   -1.955800      -2.056700       1.433500    
 H   -4.210600       3.082700     -5.1700000E-02
 H   -3.359700       2.798900       1.460000    
 H   -4.593200       1.195700      -1.480800    
 H   -3.396400     -7.5700000E-02  -1.544100    
 H   -5.832100       1.229300      0.5715000    
 H   -4.960100      0.9964000       2.077300    
 H   -2.842200       2.878100      -2.135400    
 H   -1.638200       1.608800      -2.212700    
 H   -1.249600      -2.780700      -1.460800    
 H  -0.1899000      -3.023800     -4.5499999E-02
 H   0.2345000     -0.8984000       1.372200    
 H   -6.977600       2.377000       2.428800    
 H   -6.405000       3.568900       1.248100    
 H   -5.527000       3.335900       2.772900    
 H   -2.488300       2.144000      -4.462100    
 H   -4.147100       1.772200      -3.959700    
 H   -2.931500      0.4809000      -4.037600    
 H    2.570000     -0.7052000      0.5787000    
 H    2.134800      0.6263000       1.704300    
 H   -1.606100      -6.188000     -0.6597000    
 H    4.356800     -0.2401000       1.986200    
 H    5.043200       1.814900      -1.752400    
 H    6.702000     -0.9269000       2.036800    
 H    7.419900       1.124900      -1.669500    
 H    8.251100     -0.2473000      0.2228000    


%chk=000126961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126961

0 1
O -1.065521 1.466425 1.102320
O 2.794113 0.006663 0.324364
O 0.729487 -1.719854 -2.118604
O -1.584198 -5.360330 0.584280
O -3.471753 -4.033947 0.822232
N -2.865527 1.398470 -0.375025
N 0.269155 -0.471200 -0.193954
C -1.190622 -0.482836 -0.356138
C -1.705783 0.881242 0.163940
C -1.873919 -1.626994 0.449449
C -3.391011 2.671137 0.182261
C -3.605761 0.801686 -1.512375
C -4.432850 2.443843 1.302314
C -3.126708 1.315005 -2.892438
C -1.340992 -3.021169 0.060676
C -4.985737 3.779155 1.843818
C -3.968663 0.727806 -4.044964
C 1.110197 -1.047914 -1.105098
C -2.257815 -4.131130 0.530391
C 2.608122 -0.849297 -0.849460
C 4.109974 0.335251 0.707713
C 5.268799 -0.141555 0.048542
C 4.216641 1.196672 1.826395
C 6.541176 0.254806 0.523935
C 5.491702 1.580752 2.286048
C 6.662123 1.112686 1.638459
H -1.392007 -0.630684 -1.432274
H -2.966704 -1.596390 0.279470
H -1.716828 -1.447531 1.529577
H -3.839733 3.252262 -0.646414
H -2.536067 3.241185 0.584901
H -4.676554 1.048529 -1.379229
H -3.539657 -0.299782 -1.477685
H -5.264766 1.820256 0.918000
H -3.951124 1.873341 2.117957
H -3.181326 2.421043 -2.907894
H -2.060515 1.050347 -3.030086
H -1.239338 -3.106104 -1.040173
H -0.327992 -3.198332 0.460271
H 0.650488 0.119932 0.557444
H -5.723010 3.606637 2.648011
H -5.486297 4.361326 1.046697
H -4.173887 4.404393 2.259804
H -3.613747 1.099138 -5.022447
H -5.035271 1.004768 -3.946087
H -3.906748 -0.376415 -4.063862
H 3.053518 -0.388475 -1.753102
H 3.073903 -1.842932 -0.693878
H -2.226122 -6.071748 0.856660
H 5.198487 -0.807775 -0.816558
H 3.301280 1.550352 2.310964
H 7.439107 -0.113316 0.015038
H 5.572231 2.248002 3.151275
H 7.651054 1.414197 1.998837


