%chk=000177761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177761

0 1
 O    2.722600      -1.086800     -0.3338000    
 O    4.581300     -0.1500000      0.6096000    
 N   -2.283100       1.304000     -5.3100001E-02
 C  -1.1200000E-02   1.297100      9.8099999E-02
 C   -1.158400      0.4697000     -0.4739000    
 C    1.337400      0.8189000     -0.4351000    
 C   -1.103000      -1.007600     -2.7400000E-02
 C   0.3647000      -1.449300      0.2841000    
 C    1.371400     -0.6981000     -0.6142000    
 C  -0.4050000       2.730400     -0.2601000    
 C    2.496200       1.094800      0.5175000    
 C   -1.921100       2.661800     -0.4729000    
 C   -2.052700      -1.333800       1.142900    
 C   -3.579900      0.8578000     -0.5323000    
 C   0.5391000      -2.966400      0.1216000    
 C   -3.521100      -1.413300      0.7096000    
 C    3.407600     -7.8199998E-02  0.2778000    
 C   -4.221000     -7.3200002E-02  0.4965000    
 C    3.185800       2.420700      0.2448000    
 C   0.2503000      -3.398500      -1.299800    
 H  -2.5800001E-02   1.210800       1.195700    
 H   -1.085900      0.4806000      -1.574000    
 H    1.545300       1.276500      -1.412300    
 H   -1.481800      -1.563100     -0.8894000    
 H   0.5980000      -1.215400       1.332300    
 H    1.179300     -0.9081000      -1.671500    
 H   8.8900000E-02   3.079600      -1.173500    
 H  -0.1434000       3.416200      0.5527000    
 H    2.177800       1.042800       1.565300    
 H   -2.442000       3.417100      0.1240000    
 H   -2.151900       2.834400      -1.531700    
 H   -1.927000     -0.6168000       1.963200    
 H   -1.795800      -2.315300       1.556500    
 H   -3.520600      0.3826000      -1.519000    
 H   -4.253200       1.718300     -0.6401000    
 H  -0.1188000      -3.510800      0.8068000    
 H    1.561400      -3.258700      0.3890000    
 H   -4.074700      -1.951600       1.489900    
 H   -3.611300      -2.022400     -0.1981000    
 H   -5.253100     -0.2741000      0.1823000    
 H   -4.296100      0.4470000       1.460900    
 H    2.494600       3.258700      0.3753000    
 H    4.026400       2.567300      0.9317000    
 H    3.588600       2.461600     -0.7733000    
 H  -0.7961000      -3.287700      -1.590500    
 H   0.8845000      -2.915300      -2.045500    
 H   0.4618000      -4.472100      -1.382000    


%chk=000177761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177761

0 1
O 2.719976 -1.136430 -0.430583
O 4.642898 -0.289222 0.551067
N -2.349127 1.307511 -0.133093
C -0.025606 1.338637 0.100195
C -1.171833 0.507896 -0.522588
C 1.334212 0.872116 -0.453829
C -1.153126 -0.983067 -0.065252
C 0.327434 -1.440577 0.217081
C 1.314125 -0.675115 -0.692618
C -0.459858 2.809636 -0.171283
C 2.555822 1.096863 0.473494
C -1.996650 2.716548 -0.453735
C -2.069085 -1.261705 1.157108
C -3.680345 0.828243 -0.556001
C 0.513813 -2.980782 0.105134
C -3.570946 -1.406667 0.792838
C 3.452370 -0.130741 0.233970
C -4.322834 -0.083406 0.514706
C 3.326162 2.416234 0.273025
C 0.436033 -3.564131 -1.324877
H -0.055566 1.158915 1.193209
H -1.039239 0.521979 -1.641951
H 1.533405 1.370568 -1.423813
H -1.534146 -1.600014 -0.905393
H 0.565096 -1.162821 1.267282
H 1.126591 -0.921445 -1.751620
H 0.072861 3.221996 -1.047763
H -0.240496 3.465275 0.688575
H 2.229013 1.035628 1.533314
H -2.592092 3.412655 0.164662
H -2.197438 2.963014 -1.526730
H -1.944100 -0.457777 1.908895
H -1.737472 -2.205498 1.633413
H -3.632889 0.298602 -1.539408
H -4.335821 1.707786 -0.705294
H -0.249015 -3.471220 0.741697
H 1.498226 -3.242228 0.535566
H -4.092324 -1.923807 1.623448
H -3.657781 -2.076551 -0.089019
H -5.363464 -0.319799 0.208884
H -4.382603 0.502819 1.452469
H 2.693676 3.283219 0.533711
H 4.228796 2.433591 0.907932
H 3.650033 2.526990 -0.777771
H -0.507438 -3.298697 -1.837912
H 1.278513 -3.215579 -1.948267
H 0.491242 -4.667342 -1.288280


