%chk=000031537.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031537

0 1
 O    1.147900       2.636200       1.051700    
 N    3.040900     -0.4305000      0.2088000    
 C    1.288800       1.261900      0.6826000    
 C   0.5202000       1.039900     -0.6350000    
 C    2.787200      0.9597000      0.5625000    
 C  -0.9606000      0.9511000     -0.4311000    
 C    4.471200     -0.6980000      0.1423000    
 C   -1.606600     -0.2713000     -0.1847000    
 C   -3.009900     -0.2880000     -1.3000000E-03
 C   -1.687600       2.140100     -0.4957000    
 C    5.129100      0.1990000     -0.9024000    
 C    4.697500      -2.171700     -0.1802000    
 C  -0.8908000      -1.477500     -0.1163000    
 C   -3.725700      0.9183000     -6.9799997E-02
 C   -3.067600       2.123600     -0.3155000    
 C   -3.656000      -1.510500      0.2449000    
 C   -1.549000      -2.682900      0.1294000    
 C   -2.928800      -2.699400      0.3097000    
 H   0.8602000      0.6604000       1.493000    
 H   0.8828000      0.1650000      -1.183100    
 H   0.7292000       1.875800      -1.318600    
 H    3.185700       1.650200     -0.1890000    
 H    3.273800       1.215200       1.512700    
 H    4.933400     -0.5016000       1.118300    
 H    2.604500      -1.044200      0.8962000    
 H   -1.193500       3.089400     -0.6857000    
 H    6.151300     -0.1416000      -1.105600    
 H    4.587200      0.1810000      -1.855000    
 H    5.217000       1.237300     -0.5674000    
 H    4.241700      -2.816400      0.5797000    
 H    5.768000      -2.402500     -0.2095000    
 H    4.269400      -2.440100      -1.152700    
 H   0.1868000      -1.529000     -0.2322000    
 H   -4.804900      0.9293000      6.8000004E-02
 H    1.546300       3.180300      0.3512000    
 H   -3.633200       3.049500     -0.3659000    
 H   -4.733900      -1.547000      0.3891000    
 H  -0.9836000      -3.608800      0.1838000    
 H   -3.440300      -3.638200      0.5019000    


%chk=000031537-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031537

0 1
O 1.085563 2.687768 1.581283
N 3.021806 -0.342723 0.457094
C 1.304957 1.399068 0.898067
C 0.621183 1.357636 -0.496756
C 2.817394 1.084041 0.800096
C -0.881546 1.153051 -0.438228
C 4.396993 -0.738311 0.035087
C -1.439143 -0.169227 -0.241388
C -2.879492 -0.324297 -0.147847
C -1.750026 2.247178 -0.542279
C 4.692383 -0.239532 -1.396654
C 4.507883 -2.274515 0.112064
C -0.619884 -1.346178 -0.135889
C -3.724057 0.829662 -0.255386
C -3.167755 2.093310 -0.450979
C -3.434591 -1.632716 0.046951
C -1.191815 -2.607718 0.052204
C -2.611240 -2.755602 0.146903
H 0.823907 0.671089 1.576227
H 1.112714 0.551440 -1.071717
H 0.850091 2.309755 -1.018440
H 3.267745 1.706422 0.001830
H 3.296715 1.383142 1.761617
H 5.164051 -0.298969 0.721740
H 2.699231 -0.942222 1.231601
H -1.331265 3.249547 -0.690553
H 5.710251 -0.539434 -1.707100
H 3.961590 -0.673282 -2.102860
H 4.632454 0.861212 -1.473016
H 4.339749 -2.640078 1.143594
H 5.510407 -2.611304 -0.205227
H 3.755669 -2.742854 -0.549259
H 0.470001 -1.255108 -0.210228
H -4.810885 0.701842 -0.183373
H 1.381975 3.417187 0.978169
H -3.813060 2.974902 -0.533495
H -4.524537 -1.736306 0.114754
H -0.550671 -3.493709 0.125462
H -3.046647 -3.750166 0.295034


