%chk=000039100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039100

0 1
 O  -8.4100001E-02  0.5489000     -0.3073000    
 O    1.329800       1.209000      -1.997400    
 N   -3.181500      0.9985000     -3.2400001E-02
 C    2.186100      0.9972000      0.2843000    
 C    2.331900     -0.4046000      0.9466000    
 C    1.741700       2.003400       1.384400    
 C    2.694600      -1.550300     -9.1000004E-03
 C    3.532200       1.438000     -0.3219000    
 C    1.120200      0.9406000     -0.8204000    
 C    2.739900      -2.889400      0.7308000    
 C    1.487900       3.429500      0.9067000    
 C    3.130700      -4.026800     -0.1995000    
 C   -1.158400      0.4571000      -1.248200    
 C   -2.401300      1.8400000E-02 -0.5311000    
 C   -2.671900      -1.332400     -0.4231000    
 C   -3.831500      -1.705700      0.2472000    
 C   -4.299900      0.5972000      0.6126000    
 C   -4.666500     -0.7287000      0.7778000    
 H    3.095300     -0.3500000       1.734400    
 H    1.393000     -0.6664000       1.453100    
 H   0.8216000       1.645100       1.864200    
 H    2.502800       2.036500       2.174800    
 H    1.962000      -1.614500     -0.8215000    
 H    3.673000      -1.365100     -0.4648000    
 H    3.869200      0.7537000      -1.107400    
 H    4.313900       1.484000      0.4441000    
 H    3.462800       2.424400     -0.7926000    
 H    1.759300      -3.105000       1.170700    
 H    3.461300      -2.835800       1.554500    
 H    2.401400       3.898700      0.5313000    
 H   0.7285000       3.464100      0.1202000    
 H    1.127700       4.040000       1.741600    
 H    2.412100      -4.127500      -1.019100    
 H    3.155400      -4.973500      0.3491000    
 H    4.122700      -3.858000     -0.6305000    
 H   -1.327300       1.440900      -1.703000    
 H  -0.9011000     -0.2525000      -2.044000    
 H   -2.012100      -2.086100     -0.8387000    
 H   -4.083700      -2.756200      0.3565000    
 H   -4.916800       1.397400       1.008100    
 H   -5.575200     -0.9966000       1.304400    


%chk=000039100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039100

0 1
O -0.059383 0.643065 -0.212693
O 1.290004 1.489158 -1.902458
N -3.556821 0.143096 -1.231885
C 2.281876 0.996417 0.336964
C 2.369898 -0.469456 0.884076
C 1.901920 1.938050 1.533514
C 2.589500 -1.573563 -0.174306
C 3.621494 1.430345 -0.304330
C 1.174590 1.081330 -0.725376
C 2.627929 -2.987129 0.451626
C 1.695197 3.424509 1.173610
C 2.838951 -4.100118 -0.597428
C -1.204927 0.696826 -1.151024
C -2.411810 0.068683 -0.484471
C -2.365432 -0.547395 0.788276
C -3.552682 -1.110666 1.309514
C -4.691881 -0.405594 -0.714546
C -4.741118 -1.041375 0.547788
H 3.200099 -0.497232 1.619868
H 1.438750 -0.691291 1.441672
H 0.979330 1.545210 2.001206
H 2.710492 1.848567 2.286871
H 1.775469 -1.536876 -0.927070
H 3.535112 -1.399186 -0.724404
H 3.903497 0.767621 -1.139243
H 4.423240 1.400216 0.456600
H 3.561369 2.451674 -0.714608
H 1.680640 -3.168089 0.999958
H 3.438613 -3.030017 1.207846
H 2.614959 3.886174 0.773330
H 0.897414 3.552704 0.418650
H 1.398555 3.997260 2.071150
H 2.025626 -4.095465 -1.347220
H 2.861172 -5.100918 -0.128345
H 3.793445 -3.958817 -1.138667
H -1.412689 1.747397 -1.423597
H -0.945529 0.162064 -2.083351
H -1.422969 -0.573491 1.339728
H -3.549234 -1.594038 2.292435
H -5.588346 -0.327199 -1.340551
H -5.680624 -1.464949 0.916290


