%chk=000086672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086672

0 1
 O    2.890100      0.5173000     -0.6988000    
 O    3.891000      0.1371000       1.322000    
 N  -0.4976000       1.937800     -0.3767000    
 N    4.952700     -0.3683000     -0.7023000    
 N   -7.257400      -4.035600      0.8117000    
 N   -5.442700      -1.702900      -2.534900    
 C  -0.7305000       3.396500     -0.2759000    
 C   -1.860200       3.692000      0.7309000    
 C   -3.139100       2.908900      0.4292000    
 C   -2.799800       1.429400      0.3528000    
 C   -1.499300       1.015100     -3.7000000E-02
 C   0.5271000       4.113600      0.2647000    
 C   -1.073300       3.956900      -1.668300    
 C   0.7038000       1.446300      -1.054300    
 C   -4.193700       3.281200       1.481700    
 C   -3.794700      0.4648000      0.6168000    
 C   -1.254800     -0.3781000     -6.9600001E-02
 C   -2.243500      -1.319500      0.2240000    
 C   -3.518100     -0.8974000      0.5578000    
 C    1.743100       1.025400     -2.9200001E-02
 C   -1.892400      -2.771100      0.1569000    
 C   -4.583300      -1.847000      0.8504000    
 C   -5.468200      -2.367400     -3.3799998E-02
 C    3.925600      9.2600003E-02  9.8399997E-02
 C   -6.454900      -3.287300      0.4339000    
 C   -5.452000      -1.999800      -1.412900    
 C    6.201300     -0.8943000     -0.2995000    
 C    7.107300      -1.307200      -1.263500    
 C    6.495500     -0.9860000       1.051500    
 C    8.339900      -1.825400     -0.8658000    
 C    7.728000      -1.504000       1.449200    
 C    8.650200      -1.923700      0.4905000    
 H   -1.518800       3.439100       1.746100    
 H   -2.078600       4.768500      0.7396000    
 H   -3.533100       3.207900     -0.5499000    
 H   0.8282000       3.710600       1.238100    
 H    1.381800       4.030300     -0.4139000    
 H   0.3355000       5.185100      0.3980000    
 H  -0.2182000       3.898900      -2.350300    
 H   -1.891900       3.403700      -2.140800    
 H   -1.367900       5.010500      -1.607100    
 H    1.145000       2.221300      -1.692300    
 H   0.4866000      0.6416000      -1.768400    
 H   -4.299700       4.369300       1.557600    
 H   -5.181200       2.888400       1.219300    
 H   -3.926300       2.896900       2.472400    
 H   -4.804100      0.7790000      0.8716000    
 H  -0.2803000     -0.7697000     -0.3456000    
 H    2.050800       1.880800      0.5804000    
 H    1.360200      0.2605000      0.6538000    
 H   -2.158000      -3.279700       1.089700    
 H   -2.410100      -3.251900     -0.6794000    
 H  -0.8178000      -2.926100      9.6000005E-03
 H   -4.632000      -2.144400       1.897400    
 H    4.793200     -0.3248000      -1.705900    
 H    6.875800      -1.234800      -2.322500    
 H    5.834600     -0.6821000       1.850200    
 H    9.058000      -2.152100      -1.612100    
 H    7.971000      -1.581200       2.505100    
 H    9.609900      -2.327100      0.8002000    


%chk=000086672-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086672

0 1
O 2.813339 -0.852329 0.679302
O 3.983088 1.196656 0.600388
N -0.303766 1.239278 0.036244
N 5.023914 -0.902814 0.216411
N -8.431237 -3.174332 -0.233293
N -7.436572 1.164481 -0.087439
C -0.236374 2.750031 0.099798
C -1.549035 3.279786 0.730749
C -2.825906 2.769792 0.033706
C -2.789090 1.240972 0.016464
C -1.518917 0.550399 0.004580
C 0.938361 3.203818 1.006174
C -0.038072 3.314297 -1.336559
C 0.956408 0.519315 -0.235630
C -4.086403 3.368608 0.699409
C -3.962864 0.486044 -0.020105
C -1.542270 -0.883927 -0.047956
C -2.726616 -1.632700 -0.094065
C -3.994724 -0.944400 -0.079852
C 1.587735 -0.095581 1.036404
C -2.628921 -3.149599 -0.152065
C -5.216118 -1.712437 -0.127581
C -6.560186 -1.318664 -0.140728
C 3.972478 -0.057609 0.501100
C -7.584456 -2.327485 -0.191452
C -7.029278 0.037030 -0.110881
C 6.379492 -0.555377 -0.054765
C 7.274588 -1.618372 -0.347955
C 6.849687 0.783712 -0.041065
C 8.628942 -1.345974 -0.626922
C 8.209227 1.038131 -0.323924
C 9.105854 -0.014387 -0.617761
H -1.579222 2.984270 1.798631
H -1.518619 4.384669 0.696812
H -2.809390 3.125572 -1.018955
H 0.794686 2.844787 2.041375
H 1.926706 2.865001 0.650782
H 0.957297 4.308200 1.033302
H 0.928981 2.994226 -1.764623
H -0.838948 2.977631 -2.016918
H -0.041327 4.419155 -1.313533
H 1.683086 1.220544 -0.674631
H 0.789575 -0.278059 -0.982383
H -4.006085 4.470919 0.730593
H -5.014309 3.125432 0.152940
H -4.199348 3.003037 1.736759
H -4.909068 1.028267 -0.009140
H -0.602521 -1.441775 -0.046805
H 1.846689 0.690914 1.763809
H 0.931952 -0.844579 1.505301
H -3.125765 -3.629719 0.711599
H -3.094766 -3.557885 -1.068378
H -1.574626 -3.471899 -0.146881
H -5.086507 -2.800967 -0.162122
H 4.783765 -1.896800 0.200467
H 6.911635 -2.654148 -0.358267
H 6.160473 1.598683 0.188741
H 9.309867 -2.174076 -0.851571
H 8.568323 2.073232 -0.311885
H 10.157857 0.197402 -0.834950


