%chk=000170500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170500

0 1
 O  -1.6000000E-03   1.685400       1.635200    
 O  -1.5000000E-03  -1.870500     -0.3573000    
 O  -1.8000000E-03   3.883300       2.361800    
 N    4.734400      -2.268400      6.0000001E-03
 N   -4.738700      -2.260700     -8.8000000E-03
 C  -9.9999997E-05  0.9599000      0.3649000    
 C    1.258000      0.1164000      0.3035000    
 C   -1.259500      0.1187000      0.2993000    
 C   2.7000001E-03   2.082400     -0.6223000    
 C    1.179300      -1.230700     -6.8099998E-02
 C   -1.182100      -1.228600     -7.1999997E-02
 C   2.7000001E-03   3.293800      4.5699999E-02
 C    2.525300      0.6582000      0.5821000    
 C   -2.526600      0.6629000      0.5737000    
 C   1.9999999E-04   3.048100       1.479800    
 C   4.9999999E-03   2.051000      -2.008000    
 C    3.676800     -0.1252000      0.4878000    
 C   -3.679200     -0.1186000      0.4757000    
 C    2.333900      -2.013800     -0.1695000    
 C   -2.337800      -2.009800     -0.1771000    
 C    3.581100      -1.460900      0.1099000    
 C   -3.584800      -1.454600      9.8399997E-02
 C   5.1000002E-03   4.510200     -0.6113000    
 C   7.4000000E-03   3.265500      -2.700500    
 C   7.4999998E-03   4.486900      -2.006200    
 C    5.000000      0.4983000      0.7934000    
 C   -5.001900      0.5078000      0.7772000    
 C    4.685400      -3.644700     -0.3771000    
 C   -4.690300      -3.637200     -0.3914000    
 C    6.078500      -4.247900     -0.4367000    
 C   -6.077300      -4.257000     -0.3882000    
 H    2.611900       1.703600      0.8696000    
 H   -2.612300       1.708500      0.8607000    
 H   5.1000002E-03   1.111100      -2.549600    
 H    2.216200      -3.052800     -0.4647000    
 H   -2.221000      -3.048300     -0.4743000    
 H   5.1000002E-03   5.450800     -7.2300002E-02
 H   9.3000000E-03   3.266000      -3.787200    
 H   9.3999999E-03   5.420300      -2.562300    
 H    5.482800     -1.5100000E-02   1.631500    
 H    5.654100      0.4617000     -8.4100001E-02
 H    4.898200       1.551800       1.076500    
 H   -5.489800     -6.3000000E-03   1.612000    
 H   -4.898600       1.560300       1.063400    
 H   -5.652400      0.4750000     -0.1031000    
 H    5.632400      -1.849400      0.2163000    
 H   -5.637800      -1.837500      0.1877000    
 H    4.092300      -4.223300      0.3410000    
 H    4.229100      -3.753700      -1.368100    
 H   -4.270700      -3.742300      -1.398900    
 H   -4.064700      -4.209500      0.3039000    
 H    6.704700      -3.717700      -1.162100    
 H    6.573400      -4.188600      0.5386000    
 H    6.027900      -5.300400     -0.7320000    
 H   -6.530500      -4.198900      0.6072000    
 H   -6.740400      -3.737700      -1.088200    
 H   -6.026900      -5.310300     -0.6810000    


%chk=000170500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170500

0 1
O 0.001537 1.356329 1.840599
O -0.000398 -2.105550 0.161367
O 0.002800 3.411026 2.954845
N 4.811714 -2.301391 -0.096757
N -4.812856 -2.297636 -0.092116
C 0.000815 0.852276 0.319913
C 1.250634 0.031223 0.136477
C -1.249763 0.032213 0.137312
C 0.001103 2.189628 -0.417910
C 1.208336 -1.381933 0.115807
C -1.208599 -1.380981 0.116718
C 0.001868 3.270820 0.484313
C 2.537444 0.631400 0.068391
C -2.536138 0.633401 0.069962
C 0.002127 2.761068 1.887292
C 0.000732 2.421050 -1.806193
C 3.725927 -0.106273 -0.011763
C -3.725271 -0.103332 -0.009186
C 2.371105 -2.169802 0.037130
C -2.372026 -2.167931 0.038661
C 3.644256 -1.547641 -0.022052
C -3.644745 -1.544769 -0.019435
C 0.002294 4.609806 0.044732
C 0.001148 3.761296 -2.262703
C 0.001919 4.848606 -1.347993
C 5.077061 0.581110 -0.074226
C -5.075927 0.585119 -0.070131
C 4.844744 -3.767178 -0.096143
C -4.846933 -3.763381 -0.094012
C 6.292508 -4.276556 -0.192436
C -6.295653 -4.271594 -0.181623
H 2.602888 1.725574 0.090838
H -2.600694 1.727628 0.092433
H 0.000149 1.585377 -2.513799
H 2.257994 -3.256042 0.024170
H -2.259747 -3.254249 0.024990
H 0.002890 5.426485 0.774096
H 0.000876 3.964990 -3.339544
H 0.002228 5.875697 -1.729097
H 5.720913 0.311452 0.788385
H 5.634361 0.323212 -0.998453
H 4.960646 1.677219 -0.059298
H -5.719053 0.315454 0.792972
H -4.958644 1.681132 -0.054958
H -5.634431 0.328219 -0.993960
H 5.703652 -1.810019 -0.111800
H -5.704155 -1.805448 -0.115227
H 4.369711 -4.160743 0.828188
H 4.253534 -4.159134 -0.950994
H -4.261231 -4.155067 -0.952932
H -4.366563 -4.158095 0.826918
H 6.776070 -3.926705 -1.123214
H 6.895161 -3.929636 0.667507
H 6.312179 -5.379816 -0.194391
H -6.892293 -3.925471 0.682758
H -6.785198 -3.920104 -1.108708
H -6.316105 -5.374833 -0.185320


