%chk=000115023.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115023

0 1
 O   0.8702000      -4.182700     -0.5879000    
 O    3.151900       2.707500     -0.1682000    
 O    1.414600       4.844600      0.2075000    
 O   -6.682800      -2.111900      4.5100000E-02
 O   -6.897700      5.7300001E-02  0.3047000    
 N    3.799200      -2.010000      9.3699999E-02
 N   0.2244000      -1.409100     -0.4100000    
 N   -2.306500       1.883400      0.1561000    
 N   -6.187000     -0.9628000      0.1345000    
 C    1.672600      -3.283800      0.1798000    
 C    2.875900      -2.844600     -0.6627000    
 C   0.7780000      -2.145100      0.6767000    
 C  -0.6336000     -0.2926000     -0.2184000    
 C    4.568100      -2.818000       1.042700    
 C    4.702700      -1.290900     -0.8072000    
 C  -8.8399999E-02  0.9912000     -0.1148000    
 C   -2.016000     -0.4872000     -0.1345000    
 C  -0.9742000       2.065400      7.4800000E-02
 C   -2.826300      0.6449000      5.5700000E-02
 C    1.296900       1.216000     -0.1954000    
 C    5.486600      -1.949300       1.885300    
 C    5.571000      -2.254500      -1.598200    
 C   -2.591000      -1.766100     -0.2351000    
 C  -0.4375000       3.346000      0.1787000    
 C   -4.203400      0.4575000      0.1402000    
 C    1.808000       2.505900     -8.8200003E-02
 C   0.9387000       3.572900      9.9200003E-02
 C   -4.778200     -0.8120000      4.0600002E-02
 C   -3.970600      -1.926300     -0.1475000    
 C    3.889100       2.661100       1.052300    
 C    1.545300       5.592900     -0.9996000    
 H    1.998100      -3.860700       1.051200    
 H    2.494800      -2.310400      -1.543600    
 H    3.362100      -3.745100      -1.061100    
 H  -3.5599999E-02  -2.575800       1.273100    
 H    1.349100      -1.486100       1.340600    
 H  -1.1300000E-02  -1.953800      -1.236000    
 H    5.126300      -3.641000      0.5829000    
 H    3.882600      -3.290000       1.755100    
 H    5.319600     -0.5600000     -0.2738000    
 H    4.110800     -0.6859000      -1.506600    
 H    1.997000      0.3997000     -0.3497000    
 H    5.864800      -2.530700       2.733700    
 H    4.959000      -1.081500       2.296100    
 H    6.362300      -1.600600       1.329700    
 H    6.283400      -2.807800     -0.9804000    
 H    5.001500      -2.960500      -2.208400    
 H    6.178200      -1.673000      -2.303000    
 H    1.430000      -4.937500     -0.8378000    
 H   -1.991500      -2.660100     -0.3846000    
 H   -1.104700       4.194000      0.3269000    
 H   -4.825800       1.339300      0.2882000    
 H   -4.377400      -2.930600     -0.2300000    
 H    4.940600       2.855900      0.8247000    
 H    3.808100       1.670000       1.510100    
 H    3.533100       3.427600       1.747800    
 H    1.941100       6.580800     -0.7491000    
 H   0.5700000       5.718000      -1.480700    
 H    2.242100       5.100200      -1.685000    


%chk=000115023-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115023

0 1
O 0.954637 -4.489149 0.467775
O 3.351875 2.151879 0.505284
O 1.659925 4.518758 0.499862
O -6.937026 -1.836875 -1.024426
O -6.946512 0.443839 -1.055791
N 3.640066 -1.864936 -0.157042
N 0.005204 -1.900964 0.307192
N -2.236941 1.764386 -0.042987
N -6.345397 -0.690669 -0.917978
C 1.892709 -3.400248 0.829537
C 2.745623 -3.017136 -0.404764
C 0.997259 -2.263952 1.339977
C -0.686776 -0.697979 0.187413
C 4.822006 -2.216514 0.678247
C 3.952713 -1.084452 -1.390382
C -0.044793 0.591978 0.265543
C -2.107750 -0.729802 -0.077547
C -0.885554 1.785748 0.186202
C -2.820862 0.535193 -0.204178
C 1.376342 0.773300 0.363626
C 5.653010 -0.993044 1.104873
C 4.876537 -1.778300 -2.423697
C -2.863332 -1.948992 -0.192136
C -0.270902 3.081624 0.285803
C -4.227264 0.521765 -0.489792
C 1.940996 2.042657 0.449475
C 1.104199 3.224164 0.403880
C -4.893396 -0.691705 -0.621568
C -4.226714 -1.948524 -0.463877
C 3.872184 2.763507 1.753122
C 2.497440 4.919143 -0.657286
H 2.538959 -3.734270 1.667769
H 2.044066 -2.746758 -1.214746
H 3.303239 -3.932413 -0.738274
H 0.475773 -2.618104 2.254648
H 1.627613 -1.410496 1.617549
H -0.483835 -2.738695 -0.020764
H 5.484172 -2.956129 0.161264
H 4.448321 -2.720352 1.589668
H 4.391091 -0.118528 -1.081614
H 2.985756 -0.839473 -1.869542
H 2.070914 -0.073961 0.336038
H 6.408607 -1.294492 1.852850
H 5.000997 -0.221119 1.550318
H 6.188762 -0.537289 0.253916
H 5.875494 -1.993354 -2.002048
H 4.444618 -2.729473 -2.785960
H 5.019364 -1.119503 -3.299986
H 1.455989 -5.239992 0.061547
H -2.378837 -2.920889 -0.046008
H -0.914996 3.962457 0.225658
H -4.750379 1.474832 -0.595894
H -4.802987 -2.872212 -0.549108
H 4.962986 2.822453 1.618294
H 3.631858 2.117490 2.619041
H 3.443687 3.769717 1.905580
H 2.888570 5.915779 -0.403258
H 1.873796 4.980440 -1.568889
H 3.325193 4.203736 -0.812209


