%chk=000019781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019781

0 1
 O  -0.7272000      0.8750000     -0.7784000    
 O  -0.1374000      -2.307500      -1.622800    
 O   -2.057900      0.3137000      -2.620700    
 N    1.156100      -1.794300      0.2320000    
 C   -2.982800       2.079800      0.4553000    
 C   -2.640000      0.6369000      0.6300000    
 C   -1.521900      8.6999997E-02  3.0000000E-03
 C   -1.218300      -1.263300      0.1771000    
 C   -2.032900      -2.063500      0.9782000    
 C   -3.454600     -0.1633000       1.431100    
 C   -2.940400       2.858100       1.783100    
 C   -4.348900       2.280500     -0.2263000    
 C   -3.151000      -1.513500       1.605200    
 C  -4.6599999E-02  -1.834200     -0.4788000    
 C    2.406000      -2.297100     -0.2909000    
 C    3.194100      -1.232400      -1.050100    
 C   -1.733500      -3.512900       1.184200    
 C    3.574000     -5.4299999E-02 -0.1872000    
 C    2.712400       1.027900     -9.6299998E-02
 C    4.777800     -7.4800000E-02  0.5001000    
 C   -1.110600      0.9115000      -2.127500    
 C    3.063400       2.116800      0.7016000    
 C    5.128700       1.014200       1.298100    
 C    4.271500       2.110000       1.398700    
 C  -0.1800000       1.799600      -2.898700    
 H   -2.249100       2.571900     -0.1932000    
 H   -4.330700      0.2421000       1.929600    
 H   -3.707900       2.515400       2.485300    
 H   -3.105300       3.926700       1.607200    
 H   -1.965100       2.744400       2.269400    
 H   -4.387100       1.751600      -1.185100    
 H   -4.527400       3.343400     -0.4222000    
 H   -5.174900       1.913900      0.3926000    
 H   -3.796100      -2.122300       2.233100    
 H    2.198600      -3.143700     -0.9543000    
 H    2.981600      -2.671500      0.5627000    
 H    4.101300      -1.683800      -1.471500    
 H    2.612200     -0.8774000      -1.911000    
 H    1.161500      -1.384900       1.162000    
 H  -0.7735000      -3.637300       1.695800    
 H   -2.496400      -4.002900       1.799100    
 H   -1.705200      -4.040900      0.2254000    
 H    1.780500       1.049900     -0.6461000    
 H    5.450900     -0.9244000      0.4297000    
 H    2.397300       2.971400      0.7770000    
 H    6.069100       1.008800       1.841300    
 H    4.545000       2.958300       2.019400    
 H  -6.8800002E-02   2.757900      -2.384800    
 H  -0.6010000       1.991100      -3.889700    
 H   0.7891000       1.308000      -3.010300    


%chk=000019781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019781

0 1
O -0.828345 0.907416 -1.023148
O -0.047689 -1.836874 -1.897681
O -2.521700 0.812659 -2.649407
N 1.164859 -1.923350 0.083998
C -3.155778 2.187141 0.343011
C -2.694498 0.753406 0.608374
C -1.607785 0.161835 -0.070718
C -1.155442 -1.157722 0.181793
C -1.829932 -1.960151 1.141517
C -3.351942 -0.064942 1.563432
C -3.112306 3.045307 1.635016
C -4.570663 2.202218 -0.295813
C -2.937284 -1.386322 1.817717
C 0.012182 -1.671295 -0.637871
C 2.423679 -2.298036 -0.581144
C 3.175111 -1.072928 -1.186988
C -1.411713 -3.392126 1.436751
C 3.588196 -0.051720 -0.138998
C 2.698261 0.982862 0.258247
C 4.853952 -0.138171 0.498117
C -1.340345 1.051473 -2.350608
C 3.066259 1.901504 1.268441
C 5.224424 0.779774 1.506971
C 4.329307 1.803173 1.897437
C -0.233974 1.507307 -3.267444
H -2.455944 2.641582 -0.382050
H -4.210936 0.341495 2.109263
H -3.811606 2.658897 2.399784
H -3.406144 4.087202 1.409974
H -2.099299 3.058138 2.076652
H -4.575921 1.620029 -1.232844
H -4.878571 3.239810 -0.523456
H -5.322212 1.769210 0.390930
H -3.481972 -1.992800 2.550744
H 2.176012 -3.001542 -1.395141
H 3.064990 -2.816102 0.154255
H 4.063560 -1.460580 -1.721380
H 2.509384 -0.617039 -1.941901
H 1.189981 -1.646958 1.067279
H -0.581650 -3.435786 2.168128
H -2.255759 -3.960304 1.863878
H -1.071102 -3.916594 0.527625
H 1.719651 1.072067 -0.230096
H 5.556772 -0.924888 0.194674
H 2.369295 2.695659 1.560102
H 6.208832 0.701674 1.982729
H 4.615347 2.518354 2.676940
H 0.431832 2.225469 -2.762490
H -0.658129 1.947056 -4.182022
H 0.365356 0.619113 -3.541179


