%chk=000039320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039320

0 1
 O  -0.7142000      0.7247000      0.6814000    
 O    2.004400      -3.179500     -0.1813000    
 N    2.125900      0.8446000      0.3866000    
 C    2.242500      0.8605000      -1.078400    
 C    3.277500       1.504000       1.018200    
 C    2.334400       2.292000      -1.609300    
 C    3.403500       2.956400      0.5558000    
 C    3.488900       3.049500     -0.9634000    
 C    1.991400     -0.5277000      0.8743000    
 C   0.7784000      -1.180800      0.3042000    
 C  -0.4576000     -0.5392000      0.2431000    
 C   -1.610500      -1.114600     -0.2820000    
 C   0.8302000      -2.482700     -0.2019000    
 C   -2.634400     -0.1311000     -0.1522000    
 C   -2.031900      0.9731000      0.4425000    
 C   -1.533700      -2.426300     -0.7854000    
 C  -0.3040000      -3.096800     -0.7379000    
 C   -4.002500     -5.5100001E-02 -0.4724000    
 C   -2.698800       2.159300      0.7444000    
 C   -4.699500       1.125100     -0.1804000    
 C   -4.056800       2.211500      0.4172000    
 C    2.266900      -3.966700      0.9770000    
 H    1.378000      0.4064000      -1.573500    
 H    3.127900      0.2964000      -1.402000    
 H    4.208200      0.9659000      0.7948000    
 H    3.154000       1.502900       2.108000    
 H    2.467400       2.276100      -2.697000    
 H    1.392800       2.819100      -1.409300    
 H    2.537300       3.530500      0.9088000    
 H    4.293400       3.412000       1.004600    
 H    4.441400       2.624700      -1.303400    
 H    3.473200       4.098800      -1.277700    
 H    1.881200     -0.5288000       1.966500    
 H    2.904600      -1.090400      0.6465000    
 H   -2.406400      -2.917600      -1.205500    
 H  -0.2409000      -4.110200      -1.127600    
 H   -4.516800     -0.8910000     -0.9374000    
 H   -2.193300       2.998100       1.208100    
 H   -5.756800       1.194700     -0.4235000    
 H   -4.622400       3.114700      0.6323000    
 H    2.257500      -3.349800       1.881100    
 H    3.259200      -4.413300      0.8700000    
 H    1.529800      -4.771000       1.065800    


%chk=000039320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039320

0 1
O -1.079608 0.932720 1.034274
O 2.085699 -2.689554 0.246568
N 2.227370 1.032031 0.336038
C 2.934791 0.491433 -0.851126
C 3.048177 2.040275 1.051161
C 3.288498 1.620138 -1.840614
C 3.405726 3.217271 0.120869
C 4.133810 2.712191 -1.146309
C 1.745480 -0.036965 1.256499
C 0.614847 -0.850553 0.652470
C -0.691114 -0.347345 0.559882
C -1.804159 -1.045059 0.002075
C 0.779828 -2.173692 0.146212
C -2.953619 -0.151570 0.122795
C -2.468380 1.031919 0.754218
C -1.594103 -2.347272 -0.496958
C -0.302724 -2.908784 -0.420719
C -4.321458 -0.222456 -0.228547
C -3.268903 2.140883 1.050514
C -5.152645 0.883915 0.059593
C -4.635029 2.048745 0.689594
C 2.322971 -4.055194 -0.223321
H 2.279688 -0.252191 -1.338740
H 3.874404 -0.044566 -0.548342
H 3.998368 1.588259 1.448266
H 2.468497 2.406156 1.919708
H 3.834012 1.193619 -2.704900
H 2.348902 2.065475 -2.220933
H 2.470225 3.731768 -0.171692
H 4.034523 3.944003 0.671241
H 5.118497 2.286791 -0.859318
H 4.333582 3.551216 -1.839806
H 1.367168 0.468548 2.164724
H 2.568111 -0.724375 1.562401
H -2.415520 -2.923453 -0.935155
H -0.139562 -3.919872 -0.803455
H -4.732899 -1.113373 -0.714984
H -2.854621 3.030018 1.533415
H -6.214503 0.846553 -0.206808
H -5.302965 2.891156 0.899267
H 1.709964 -4.787066 0.337735
H 3.389993 -4.240844 -0.030928
H 2.118078 -4.152500 -1.307165


