%chk=000046570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046570

1 1
 O   -2.719900     -0.8621000     -0.4084000    
 O   -2.866600       1.248800      0.5554000    
 N    2.847500     -0.5883000      9.5399998E-02
 N   -4.776700      0.1076000     -0.1015000    
 C    3.440500      0.5862000     -0.6801000    
 C    1.324900     -0.6629000     -4.2399999E-02
 C    3.453700      -1.876000     -0.4548000    
 C    3.198800     -0.4094000       1.569800    
 C   0.6408000      -1.196200      0.9980000    
 C   0.7894000     -0.1894000      -1.193200    
 C    2.898300       1.905500     -0.2388000    
 C  -0.7468000      -1.264200      0.8725000    
 C  -0.5982000     -0.2574000      -1.318700    
 C   -1.366400     -0.7947000     -0.2857000    
 C    3.647600       2.885000      0.2792000    
 C   -3.416300      0.2674000      6.4099997E-02
 C   -5.750700       1.100100      0.2892000    
 H    4.526300      0.5456000     -0.5153000    
 H    3.307700      0.4268000      -1.755500    
 H    3.205900      -1.959200      -1.517700    
 H    4.538600      -1.829100     -0.3189000    
 H    3.044400      -2.724600      0.1024000    
 H    3.094000      -1.363900       2.095200    
 H    4.255900     -0.1263000       1.633900    
 H    2.584200      0.3778000       2.019000    
 H    1.071500      -1.604600       1.901700    
 H    1.337400      0.1977000      -2.040500    
 H    1.842500       2.119000     -0.3747000    
 H   -1.339500      -1.691200       1.677100    
 H   -1.074500      0.1012000      -2.227400    
 H    3.197600       3.830100      0.5629000    
 H    4.714500       2.764100      0.4308000    
 H   -5.111400     -0.7542000     -0.5214000    
 H   -6.318000       1.389100     -0.5989000    
 H   -5.271300       1.979400      0.7256000    
 H   -6.426700      0.6460000       1.017700    


%chk=000046570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046570

1 1
O -2.777174 -0.147166 0.593718
O -3.495543 0.530066 -1.595614
N 2.909856 -0.580477 -0.047603
N -4.981937 0.166586 0.194416
C 3.520289 0.794592 -0.518486
C 1.398491 -0.454541 0.120353
C 3.220754 -1.641292 -1.111971
C 3.612927 -0.996347 1.240017
C 0.770879 -0.698208 1.361306
C 0.626806 -0.086911 -1.004876
C 3.248373 1.921547 0.442241
C -0.627610 -0.580348 1.464052
C -0.772420 0.036792 -0.910110
C -1.404498 -0.216751 0.337143
C 4.234044 2.603720 1.077690
C -3.766613 0.224594 -0.414719
C -6.230500 0.480925 -0.516853
H 4.601946 0.617308 -0.646634
H 3.071746 0.992645 -1.506733
H 2.774862 -1.343028 -2.070376
H 4.313152 -1.731136 -1.219486
H 2.786048 -2.598834 -0.789296
H 3.229701 -1.974054 1.566313
H 4.690399 -1.075139 1.028796
H 3.449906 -0.232356 2.012235
H 1.329617 -0.976682 2.257047
H 1.086655 0.113984 -1.978566
H 2.201453 2.227273 0.560948
H -1.132906 -0.767635 2.415234
H -1.366817 0.322149 -1.778782
H 4.005834 3.461198 1.719013
H 5.294944 2.348638 0.960018
H -5.008419 -0.107199 1.177915
H -6.906926 -0.391464 -0.522124
H -5.983611 0.745525 -1.556216
H -6.744710 1.335727 -0.044010


