%chk=000046214.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046214

0 1
 O    2.560800      -2.439600     -0.4440000    
 N  -0.6676000     -0.6191000     -0.5080000    
 C   0.2715000      -1.663200     -0.1233000    
 C    1.643600      -1.395500     -0.7819000    
 C   -1.990000     -0.8783000      4.8799999E-02
 C   -2.961600      0.2299000     -0.3538000    
 C   -4.351800     -1.1300000E-02  0.2383000    
 C   0.3483000      -1.689700       1.404300    
 C    2.283400     -9.4400004E-02 -0.3471000    
 C   -5.335900       1.076500     -0.1912000    
 C    2.020200       1.060100      -1.063400    
 C    3.117700     -8.8000000E-02  0.7570000    
 C   -6.710000      0.8585000      0.4221000    
 C    2.610100       2.259000     -0.6630000    
 C    3.707500       1.110800       1.157600    
 C    3.453800       2.284400      0.4475000    
 H  -7.7600002E-02  -2.646000     -0.4672000    
 H    1.550700      -1.408500      -1.875500    
 H   -2.371200      -1.844800     -0.3025000    
 H   -1.981000     -0.8910000       1.142700    
 H  -0.7286000     -0.5661000      -1.524500    
 H   -2.582300       1.201100     -1.1100000E-02
 H   -3.034600      0.2795000      -1.447700    
 H   -4.725500     -0.9906000     -8.4500000E-02
 H   -4.285400     -3.5700001E-02   1.333000    
 H    1.211500      -2.273800       1.742800    
 H   0.4332000     -0.6898000       1.845100    
 H  -0.5212000      -2.186600       1.848700    
 H   -4.959800       2.060300      0.1130000    
 H   -5.426000       1.087000      -1.283600    
 H    1.369700       1.051400      -1.932900    
 H    3.328500     -0.9821000       1.335600    
 H    2.168300      -3.279200     -0.7383000    
 H   -7.397800       1.646900      0.1008000    
 H   -7.128900     -0.1045000      0.1133000    
 H   -6.659100      0.8768000       1.515400    
 H    2.413500       3.172600      -1.216500    
 H    4.362900       1.131400       2.023400    
 H    3.912900       3.217900      0.7595000    


%chk=000046214-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046214

0 1
O 2.452929 -2.494966 -0.610621
N -0.781638 -0.625301 -0.372653
C 0.268384 -1.560277 0.101028
C 1.585581 -1.309332 -0.711893
C -2.126105 -0.795576 0.227982
C -3.150861 0.137656 -0.445560
C -4.568297 0.005631 0.155464
C 0.494636 -1.461695 1.620588
C 2.409786 -0.101365 -0.271231
C -5.601886 0.937590 -0.517393
C 1.837387 1.197298 -0.287685
C 3.757429 -0.255114 0.136666
C -7.013110 0.810973 0.096145
C 2.603074 2.320136 0.097077
C 4.521920 0.870886 0.520184
C 3.950175 2.163259 0.500336
H -0.024156 -2.625887 -0.126250
H 1.285855 -1.169781 -1.778983
H -2.489816 -1.853902 0.159817
H -2.065345 -0.548316 1.304099
H -0.847759 -0.650586 -1.402945
H -2.795738 1.182509 -0.349369
H -3.194872 -0.083834 -1.534049
H -4.913419 -1.045908 0.067283
H -4.528644 0.230364 1.241798
H 1.400461 -2.031378 1.894348
H 0.637731 -0.410245 1.922504
H -0.356153 -1.881244 2.186224
H -5.253557 1.987205 -0.434647
H -5.646796 0.709516 -1.602039
H 0.785215 1.310970 -0.569342
H 4.193473 -1.257235 0.142193
H 1.919395 -3.294492 -0.849276
H -7.733847 1.484823 -0.402394
H -7.395482 -0.223018 0.001350
H -7.001171 1.065991 1.172695
H 2.147861 3.317402 0.082413
H 5.564769 0.737447 0.830986
H 4.544790 3.036098 0.794053


