%chk=000122994.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122994

0 1
 O  -0.1797000      -1.218800     -0.8577000    
 O   -2.370300      0.3756000       1.342300    
 O  -0.8662000       2.292000     -3.3000000E-03
 O   -3.749200      -1.573500     -7.8000002E-02
 O   -4.665100      0.6262000       1.431900    
 O   -2.066500       3.340600      -1.675700    
 O   -4.080400      -2.785400      -2.016700    
 O    7.427300     -0.3813000     -1.3100000E-02
 O    6.588500      -1.739500       1.493700    
 N    1.277900      0.6164000     -0.9373000    
 N    6.446000     -0.8961000      0.5754000    
 C   -2.413700      0.4367000     -8.6499996E-02
 C   -1.101700       1.027400     -0.6138000    
 C   -2.585500     -0.9786000     -0.6344000    
 C   7.7000000E-02  8.4700003E-02 -0.3270000    
 C   -1.354000      -1.823300     -0.3205000    
 C    2.556600      0.2416000     -0.5640000    
 C   -3.575600      0.4844000       1.970600    
 C   -1.409300       3.370000     -0.6440000    
 C   -4.406000      -2.464800     -0.8816000    
 C    2.739400     -0.6944000      0.4539000    
 C    3.662700      0.8008000      -1.204300    
 C   -3.377100      0.4033000       3.453900    
 C   -1.083000       4.624800      0.1077000    
 C   -5.606000      -3.009000     -0.1674000    
 C    4.028200      -1.071400      0.8314000    
 C    4.951400      0.4239000     -0.8267000    
 C    5.134200     -0.5123000      0.1912000    
 H   -3.245700       1.078300     -0.4029000    
 H   -1.183100       1.131000      -1.705800    
 H   -2.680400     -0.8806000      -1.724900    
 H   0.1998000      2.9999999E-02  0.7623000    
 H   -1.453700      -2.817900     -0.7682000    
 H   -1.231100      -1.984800      0.7574000    
 H    1.182200       1.242900      -1.729100    
 H    1.915800      -1.170000      0.9761000    
 H    3.534000       1.531900      -1.998600    
 H   -2.736400       1.223500       3.787300    
 H   -4.345400      0.4915000       3.954700    
 H   -2.936000     -0.5617000       3.716000    
 H   6.9999998E-04   4.758300      0.1525000    
 H   -1.519000       5.482800     -0.4119000    
 H   -1.507100       4.574100       1.113700    
 H   -5.290700      -3.536800      0.7362000    
 H   -6.127900      -3.714600     -0.8199000    
 H   -6.289600      -2.193500      8.1600003E-02
 H    4.133200      -1.805500       1.626300    
 H    5.789400      0.8804000      -1.347300    


%chk=000122994-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122994

0 1
O -0.197140 -1.289535 -1.029743
O -2.372176 0.144168 1.282067
O -0.975165 2.243574 -0.042474
O -3.855428 -1.705106 -0.207541
O -3.632976 2.090064 1.588261
O -2.255976 3.221579 -1.731906
O -4.112673 -2.997997 -2.136865
O 7.502728 -0.230964 0.216753
O 6.640713 -1.865821 1.560040
N 1.261453 0.589329 -0.902310
N 6.505454 -0.894449 0.712449
C -2.473069 0.290642 -0.195976
C -1.165593 0.935881 -0.708094
C -2.626261 -1.113535 -0.788703
C 0.047323 0.042742 -0.381089
C -1.384300 -1.972656 -0.473918
C 2.539640 0.192913 -0.507577
C -3.012991 1.118804 2.070341
C -1.658869 3.333998 -0.641463
C -4.529066 -2.651619 -1.011939
C 2.744936 -0.892054 0.397604
C 3.674502 0.894613 -1.017260
C -2.819729 0.805032 3.534820
C -1.565912 4.555885 0.231900
C -5.772751 -3.138172 -0.307144
C 4.041150 -1.241172 0.801146
C 4.971035 0.540105 -0.624989
C 5.149053 -0.523401 0.292656
H -3.337623 0.934380 -0.432065
H -1.249298 1.084052 -1.803353
H -2.739761 -1.044267 -1.887711
H 0.119382 -0.113638 0.714995
H -1.429378 -2.942974 -0.990082
H -1.285171 -2.119208 0.619878
H 1.188695 1.268707 -1.660397
H 1.894838 -1.483951 0.744881
H 3.527079 1.725327 -1.717455
H -1.759743 0.948884 3.810867
H -3.446113 1.473247 4.142661
H -3.075671 -0.247474 3.740289
H -0.599592 4.598466 0.758206
H -1.722143 5.462946 -0.370565
H -2.367054 4.492076 0.991827
H -5.508102 -3.586832 0.665814
H -6.286875 -3.881011 -0.933126
H -6.449114 -2.290204 -0.102980
H 4.218101 -2.071421 1.490029
H 5.848530 1.069346 -1.005258


