%chk=000052946.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052946

0 1
 O   -1.433100     -0.5268000       1.357300    
 O   0.6925000      -1.981400      -1.295800    
 O   0.7139000       2.322200      0.4206000    
 N   0.2872000      0.2110000     -0.5366000    
 N   -3.350100     -4.1200001E-02  0.1442000    
 C   -1.120700      0.3434000     -0.8543000    
 C    2.381400     -0.6267000     -0.3303000    
 C    2.386600      0.6619000      0.1833000    
 C   -1.964100     -0.1160000      0.3219000    
 C    1.026600     -0.9245000     -0.7934000    
 C    1.035100       1.206400      5.5900000E-02
 C   -4.295000     -0.4479000       1.181400    
 C   -3.953600      0.4480000      -1.089100    
 C    3.517500      -1.409200     -0.3506000    
 C    3.528300       1.235700      0.7037000    
 C   -4.654300      -1.918300       1.050700    
 C   -4.176700       1.949800      -1.033100    
 C    4.686600     -0.8482000      0.1710000    
 C    4.692000      0.4615000      0.6932000    
 H   -1.326000     -0.2910000      -1.721100    
 H   -1.325900       1.392200      -1.078600    
 H   -3.828700     -0.2847000       2.159500    
 H   -5.190600      0.1807000       1.134700    
 H   -3.336300      0.2036000      -1.956000    
 H   -4.910000     -6.4199999E-02  -1.246100    
 H    3.513600      -2.415900     -0.7513000    
 H    3.532700       2.242100       1.105400    
 H   -5.345600      -2.212800       1.846200    
 H   -3.762200      -2.549500       1.121600    
 H   -5.133100      -2.126000      8.8399999E-02
 H   -4.614000       2.301700      -1.972700    
 H   -3.246300       2.499200     -0.8648000    
 H   -4.863700       2.215100     -0.2227000    
 H    5.606000      -1.428000      0.1755000    
 H    5.615400      0.8726000       1.092900    


%chk=000052946-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052946

0 1
O -1.375005 -0.704657 1.182091
O 0.728047 -2.047787 -1.551660
O 0.495261 2.313378 0.198087
N 0.297085 0.163009 -0.791658
N -3.319919 -0.046438 0.081406
C -1.123732 0.210594 -1.088061
C 2.430639 -0.658336 -0.368627
C 2.361651 0.655834 0.156010
C -1.948824 -0.216706 0.161373
C 1.102646 -0.999506 -0.972534
C 0.986634 1.195400 -0.093866
C -4.146424 -0.454912 1.245498
C -4.020486 0.550647 -1.078909
C 3.604248 -1.420959 -0.279732
C 3.464169 1.250721 0.786402
C -4.646609 -1.909926 1.128553
C -4.237015 2.075207 -0.940269
C 4.725149 -0.829238 0.359146
C 4.656081 0.486318 0.884119
H -1.318194 -0.488440 -1.922302
H -1.383937 1.235972 -1.401938
H -3.522962 -0.347045 2.148870
H -4.997668 0.247354 1.324484
H -3.464626 0.327752 -2.006011
H -4.997951 0.041774 -1.177500
H 3.644770 -2.435940 -0.687084
H 3.398326 2.266020 1.189680
H -5.270688 -2.171331 2.002798
H -3.789785 -2.603891 1.095219
H -5.255569 -2.059603 0.217671
H -4.790506 2.466698 -1.813553
H -3.274419 2.611913 -0.869768
H -4.819857 2.310920 -0.032106
H 5.658092 -1.395681 0.451285
H 5.536778 0.915683 1.373787


