%chk=000094794.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094794

0 1
 O   -1.331000       1.990100       1.375900    
 N  -0.2705000       1.941600     -0.7182000    
 C   -3.485600      -2.332800     -0.3615000    
 C   -2.218600      -2.710000      0.4139000    
 C   -3.636600     -0.8497000     -0.7180000    
 C  -0.9246000      -2.457300     -0.3636000    
 C   0.2985000      -2.928000      0.4275000    
 C   -3.726100      6.3400000E-02  0.5064000    
 C    1.624100      -2.673000     -0.2956000    
 C   -3.861800       1.549900      0.1565000    
 C    2.852400      -3.075800      0.5204000    
 C   -2.672900       2.157400     -0.5903000    
 C    4.137900      -2.817800     -0.2513000    
 C   -1.351600       2.025100      0.1484000    
 C    1.096300       1.812000     -0.3754000    
 C    2.043800       1.743000      -1.383200    
 C    1.457800       1.757400      0.9606000    
 C    3.391200       1.615400      -1.045700    
 C    2.805300       1.630100       1.298100    
 C    3.771900       1.559100      0.2950000    
 H   -3.519300      -2.917600      -1.289300    
 H   -4.357100      -2.643000      0.2285000    
 H   -2.188000      -2.184400       1.374400    
 H   -2.279900      -3.779000      0.6553000    
 H   -2.803600     -0.5493000      -1.361200    
 H   -4.547800     -0.7289000      -1.317000    
 H  -0.8185000      -1.387800     -0.5768000    
 H  -0.9621000      -2.979900      -1.326600    
 H   0.2061000      -4.000500      0.6387000    
 H   0.3178000      -2.414400       1.396800    
 H   -2.854600     -7.9099998E-02   1.151700    
 H   -4.599700     -0.2306000       1.101600    
 H    1.694800      -1.607400     -0.5467000    
 H    1.622200      -3.221100      -1.246000    
 H   -4.015700       2.105600       1.090200    
 H   -4.768000       1.698300     -0.4435000    
 H    2.793300      -4.138900      0.7801000    
 H    2.874900      -2.511500       1.459800    
 H   -2.595200       1.708400      -1.586500    
 H   -2.851500       3.228900     -0.7403000    
 H    5.005000      -3.109400      0.3494000    
 H    4.239200      -1.757100     -0.5016000    
 H    4.159500      -3.394300      -1.181600    
 H  -0.4623000       1.982600      -1.716700    
 H    1.758000       1.785200      -2.430500    
 H   0.7729000       1.805400       1.793900    
 H    4.143900       1.558800      -1.826600    
 H    3.103300       1.585000       2.341700    
 H    4.820900       1.458500      0.5579000    


%chk=000094794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094794

0 1
O -1.289463 2.489503 1.406189
N -0.308184 1.862646 -0.633884
C -3.551952 -2.355936 -0.507264
C -2.296477 -2.820790 0.274364
C -3.638527 -0.829472 -0.766917
C -0.951092 -2.468180 -0.401521
C 0.270269 -3.034121 0.358514
C -3.640007 0.024998 0.522510
C 1.624173 -2.637117 -0.271663
C -3.859549 1.539052 0.287062
C 2.843734 -3.178782 0.508950
C -2.747997 2.224445 -0.548365
C 4.192267 -2.750212 -0.109269
C -1.395197 2.203225 0.176279
C 1.075796 1.794547 -0.298203
C 1.983106 1.450151 -1.337557
C 1.569541 2.051980 1.009395
C 3.365397 1.365006 -1.077518
C 2.957539 1.961895 1.252362
C 3.863322 1.620886 0.221843
H -3.582361 -2.885342 -1.482213
H -4.457379 -2.674233 0.049976
H -2.309816 -2.392382 1.296821
H -2.351358 -3.921422 0.405234
H -2.795977 -0.526772 -1.420960
H -4.565366 -0.617618 -1.340082
H -0.842054 -1.366210 -0.472857
H -0.950000 -2.853236 -1.443537
H 0.193212 -4.140980 0.405383
H 0.240283 -2.675916 1.408997
H -2.690041 -0.117941 1.073696
H -4.442207 -0.345001 1.193422
H 1.692933 -1.530633 -0.326231
H 1.666856 -3.005776 -1.318772
H -3.908789 2.054242 1.264434
H -4.830740 1.701775 -0.221588
H 2.788049 -4.285993 0.554796
H 2.788466 -2.820417 1.557206
H -2.676413 1.769000 -1.554822
H -3.021492 3.288183 -0.696444
H 5.048241 -3.143381 0.470226
H 4.275837 -1.647244 -0.135938
H 4.288685 -3.120952 -1.147816
H -0.531433 1.644024 -1.607779
H 1.605531 1.249754 -2.349109
H 0.868120 2.315964 1.802568
H 4.051829 1.098673 -1.888857
H 3.331561 2.162049 2.262809
H 4.937526 1.556666 0.425130


