%chk=000046912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046912

2 1
 O   0.1064000     -0.4379000     -0.3982000    
 N    3.765500     -0.9302000      0.1443000    
 N   -3.334500      0.6206000      0.4437000    
 C    2.439300     -0.9653000     -0.6012000    
 C   -2.250100      1.6700000E-02 -0.3709000    
 C    4.131500      0.5126000      0.4613000    
 C   -4.670800      0.5766000     -0.3097000    
 C    1.354900     -0.3751000      0.2785000    
 C  -0.9427000      0.1060000      0.3913000    
 C    3.640000      -1.718100       1.440300    
 C    4.851400      -1.550200     -0.7231000    
 C   -3.507600     -0.1368000       1.767300    
 C   -3.018300       2.086400      0.7701000    
 C    4.222800       1.299700     -0.8362000    
 C   -5.060900     -0.8736000     -0.5473000    
 C    4.631700       2.740800     -0.5776000    
 C   -6.358600     -0.9723000      -1.332800    
 H    2.213200      -2.019300     -0.8110000    
 H    2.519300     -0.4835000      -1.579700    
 H   -2.187400      0.5412000      -1.332000    
 H   -2.454900      -1.038200     -0.5715000    
 H    3.419700      0.9376000       1.174500    
 H    5.107100      0.4895000      0.9636000    
 H   -5.421600       1.095500      0.2979000    
 H   -4.533500       1.121400      -1.251000    
 H    1.540400      0.6778000      0.5032000    
 H    1.240900     -0.9274000       1.214900    
 H  -0.9831000     -0.4587000       1.327900    
 H  -0.6692000       1.141200      0.6106000    
 H    3.067500      -1.146800       2.175500    
 H    3.171600      -2.683500       1.226800    
 H    4.649300      -1.875800       1.835100    
 H    4.781000      -1.168800      -1.744700    
 H    5.828200      -1.334100     -0.2806000    
 H    4.685700      -2.632500     -0.7447000    
 H   -3.438600      -1.213200       1.587000    
 H   -2.720300      0.1691000       2.462800    
 H   -4.476600      0.1322000       2.199600    
 H   -2.745100       2.596100     -0.1585000    
 H   -3.918400       2.540800       1.196800    
 H   -2.217500       2.145900       1.510800    
 H    3.264600       1.354000      -1.358800    
 H    4.960900      0.8842000      -1.527100    
 H   -5.216100      -1.415900      0.3900000    
 H   -4.314100      -1.419200      -1.128300    
 H    3.906200       3.244500      6.9499999E-02
 H    5.613500       2.789500     -9.5600002E-02
 H    4.688700       3.296100      -1.519200    
 H   -7.180800     -0.4904000     -0.7939000    
 H   -6.262100     -0.4927000      -2.312200    
 H   -6.628000      -2.021000      -1.494100    


%chk=000046912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046912

2 1
O 0.066651 -0.208781 0.102569
N 3.779602 -0.965508 0.072590
N -3.589109 0.611354 0.651039
C 2.292529 -0.843531 -0.307328
C -2.255032 0.166706 0.026655
C 4.473292 0.423739 0.222161
C -4.739912 0.365511 -0.386006
C 1.413761 -0.036067 0.666952
C -0.991414 0.487327 0.850275
C 3.940924 -1.724164 1.393550
C 4.471672 -1.780556 -1.027145
C -3.883031 -0.159676 1.938415
C -3.571196 2.110799 0.958277
C 4.427654 1.336576 -1.012408
C -4.946276 -1.083982 -0.851085
C 5.172245 2.658984 -0.697816
C -6.150047 -1.130423 -1.827370
H 1.895721 -1.870678 -0.379062
H 2.242650 -0.385893 -1.307540
H -2.184445 0.648498 -0.963133
H -2.306559 -0.923196 -0.121606
H 3.997399 0.914958 1.089505
H 5.519287 0.198673 0.497354
H -5.655341 0.744146 0.103334
H -4.510509 1.020951 -1.245693
H 1.687293 1.038837 0.684209
H 1.447811 -0.436434 1.700999
H -1.049781 0.090544 1.885171
H -0.777731 1.574483 0.890205
H 3.562195 -1.112520 2.225187
H 3.387456 -2.674383 1.337265
H 5.010148 -1.929542 1.554564
H 4.289378 -1.313593 -2.004881
H 5.552666 -1.808871 -0.822996
H 4.064436 -2.803289 -1.021848
H -3.794332 -1.238717 1.750286
H -3.173614 0.144905 2.721709
H -4.906995 0.077310 2.264813
H -3.314513 2.665165 0.042565
H -4.571755 2.412524 1.303332
H -2.837758 2.323601 1.749861
H 3.384459 1.570698 -1.298210
H 4.912419 0.855863 -1.881094
H -5.157001 -1.752331 0.003595
H -4.052464 -1.470180 -1.374172
H 4.711107 3.198097 0.149432
H 6.233815 2.477900 -0.453183
H 5.144585 3.326772 -1.574345
H -7.083548 -0.798127 -1.339476
H -5.979288 -0.496525 -2.715800
H -6.309004 -2.162453 -2.180273


