%chk=000036339.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036339

0 1
 O    3.165100     -0.5864000      0.2702000    
 O    1.998000     -0.4837000      -1.711300    
 N   5.9200000E-02   1.153000     -7.7500001E-02
 N   0.6406000       2.545300       1.499000    
 C  -0.8134000      0.4690000      -1.065700    
 C   -1.928300     -0.2633000     -0.3985000    
 C   -1.195900       1.440500      -2.207500    
 C    1.356900      0.8841000      0.1335000    
 C  -0.3511000       2.138700      0.7379000    
 C   -1.706400      -1.530400      0.1408000    
 C   -3.193100      0.3187000     -0.3142000    
 C    1.708500       1.767500       1.126900    
 C    2.158100     -9.2200004E-02 -0.5310000    
 C   -2.749200      -2.215300      0.7646000    
 C   -4.235800     -0.3661000      0.3095000    
 C   -4.014000      -1.633100      0.8491000    
 C    4.039800      -1.574300     -0.2853000    
 C    5.060900      -1.971900      0.7593000    
 H  -0.2164000     -0.3022000      -1.556100    
 H   -1.735600       2.321100      -1.843300    
 H   -1.822700      0.9388000      -2.952700    
 H  -0.2942000       1.804100      -2.713700    
 H   -1.355300       2.539700      0.7570000    
 H  -0.7258000      -1.995800      8.4100001E-02
 H   -3.398100       1.307000     -0.7135000    
 H    2.674400       1.889200       1.596400    
 H   -2.576300      -3.201600       1.185300    
 H   -5.220100      8.7899998E-02  0.3777000    
 H   -4.825700      -2.166000       1.335600    
 H    3.453400      -2.449400     -0.5856000    
 H    4.546500      -1.157600      -1.162500    
 H    5.747400      -2.727500      0.3673000    
 H    5.640600      -1.100900       1.082600    
 H    4.565200      -2.372100       1.649800    


%chk=000036339-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036339

0 1
O 3.556207 -0.461339 0.152472
O 1.892851 -1.127532 -1.348921
N -0.006014 0.535100 0.316002
N 0.558983 1.741416 2.165082
C -0.831113 0.028999 -0.834562
C -2.252901 -0.289412 -0.356103
C -0.730609 1.020635 -2.011135
C 1.381617 0.352727 0.520056
C -0.442959 1.377012 1.322392
C -2.436755 -1.331864 0.591075
C -3.391941 0.400147 -0.836482
C 1.692228 1.107102 1.669928
C 2.241970 -0.474459 -0.323174
C -3.725781 -1.675018 1.048153
C -4.687239 0.057319 -0.381374
C -4.858843 -0.978973 0.562335
C 4.537807 -1.273515 -0.628746
C 5.885462 -1.113617 0.067187
H -0.339448 -0.908764 -1.148744
H -1.121184 2.018067 -1.741416
H -1.293496 0.640565 -2.881470
H 0.324326 1.128972 -2.312870
H -1.481010 1.683011 1.420911
H -1.561629 -1.872957 0.971730
H -3.279255 1.203472 -1.571807
H 2.665094 1.207767 2.143813
H -3.849133 -2.482489 1.778305
H -5.558875 0.599571 -0.764619
H -5.861734 -1.244363 0.914680
H 4.189575 -2.322255 -0.644411
H 4.550141 -0.900389 -1.668974
H 6.655018 -1.696572 -0.470999
H 6.198294 -0.055669 0.082390
H 5.837546 -1.477897 1.107498


