%chk=000046287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046287

0 1
 O    2.442400     -0.8270000     -0.7761000    
 N   -1.121700      -1.037300      0.1398000    
 C   0.2001000      -1.498400     -0.2836000    
 C   -1.674700     -0.1027000     -0.8396000    
 C   -2.023200      -2.173300      0.3281000    
 C    1.170400     -0.3318000     -0.3794000    
 C   -3.010700      0.4393000     -0.4055000    
 C   -1.464100      -3.155700       1.343300    
 C   -4.170800     -0.2298000     -0.7698000    
 C   -3.063400       1.600700      0.3525000    
 C   -5.408500      0.2725000     -0.3680000    
 C   -4.301000       2.103000      0.7544000    
 C    3.539300     -0.1261000     -0.3477000    
 C   -5.473700       1.438900      0.3941000    
 C    3.441400       1.244900     -0.1388000    
 C    4.739000     -0.7928000     -0.1274000    
 C    4.558100       1.958600      0.2963000    
 C    5.855800     -7.9300001E-02  0.3078000    
 C    5.765300       1.296400      0.5196000    
 H   0.1602000      -2.034300      -1.241600    
 H   0.6449000      -2.193000      0.4371000    
 H   -1.769500     -0.5681000      -1.831000    
 H   -1.039300      0.7763000     -0.9835000    
 H   -2.973600      -1.849800      0.7615000    
 H   -2.233300      -2.698500     -0.6120000    
 H    1.213000      0.1611000      0.6013000    
 H   0.8785000      0.3910000      -1.145000    
 H  -0.6608000      -3.774000      0.9306000    
 H   -1.101300      -2.650100       2.244900    
 H   -2.254700      -3.847700       1.656000    
 H   -4.138000      -1.130600      -1.376100    
 H   -2.156800       2.125100      0.6414000    
 H   -6.321700     -0.2427000     -0.6514000    
 H   -4.351900       3.010900       1.348200    
 H   -6.437400       1.830400      0.7065000    
 H    2.530000       1.803700     -0.3277000    
 H    4.813700      -1.864100     -0.2912000    
 H    4.490000       3.030800      0.4551000    
 H    6.795800     -0.5948000      0.4812000    
 H    6.635300       1.852300      0.8570000    


%chk=000046287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046287

0 1
O 2.487893 -0.946305 -0.400521
N -1.194008 -1.354740 0.047260
C 0.207709 -1.714716 -0.275458
C -1.865709 -0.644691 -1.068739
C -2.005754 -2.477697 0.589275
C 1.149101 -0.552730 0.070598
C -3.073440 0.182857 -0.633478
C -1.609104 -2.866267 2.024963
C -4.179907 0.340639 -1.504313
C -3.089206 0.846058 0.619391
C -5.276632 1.154663 -1.139248
C -4.185623 1.656036 0.989366
C 3.548743 -0.049703 -0.192857
C -5.282806 1.816550 0.110097
C 3.416951 1.214946 0.434117
C 4.813314 -0.487404 -0.661472
C 4.561160 2.033586 0.585099
C 5.942001 0.339833 -0.503080
C 5.824554 1.606819 0.121455
H 0.344746 -1.985791 -1.348009
H 0.509201 -2.596316 0.314970
H -2.178264 -1.349185 -1.881041
H -1.118589 0.034308 -1.526443
H -3.059508 -2.144453 0.591593
H -1.953367 -3.375349 -0.077021
H 1.157791 -0.380242 1.164788
H 0.830148 0.382486 -0.434324
H -0.563945 -3.220456 2.088758
H -1.717575 -1.997528 2.697724
H -2.258808 -3.681246 2.394248
H -4.184604 -0.177178 -2.472187
H -2.238542 0.700982 1.294474
H -6.125262 1.267103 -1.823728
H -4.186298 2.162186 1.961813
H -6.133522 2.444975 0.397171
H 2.448230 1.566173 0.801754
H 4.884228 -1.468744 -1.141031
H 4.457252 3.011105 1.069909
H 6.916492 -0.004235 -0.867593
H 6.704059 2.247673 0.243021


