%chk=000058379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058379

0 1
 O    3.854700      -1.115900      0.6879000    
 N    2.435400      7.2999999E-02 -0.7363000    
 C   0.1737000      0.3228000      0.1423000    
 C   -1.850300      0.2877000      -1.383100    
 C   -1.414600      -1.652400      0.1652000    
 C   -2.159700      0.5651000       1.102500    
 C  -0.3809000      0.7232000      -1.245400    
 C   5.3599998E-02  -1.211600      0.2986000    
 C  -0.6893000      0.9996000       1.233500    
 C   -1.943600      -1.238300      -1.218000    
 C   -2.684800      0.9682000     -0.2853000    
 C   -2.251400     -0.9622000       1.255200    
 C    1.635600      0.7576000      0.2757000    
 C    1.768300       2.268600      0.1276000    
 C    3.453400     -0.7853000     -0.4204000    
 H   -2.231500      0.5763000      -2.369100    
 H   -1.486000      -2.739900      0.2781000    
 H   -2.759800       1.050400       1.880400    
 H   0.1898000      0.2618000      -2.059300    
 H  -0.3450000       1.806200      -1.402800    
 H   0.4452000      -1.526100       1.274700    
 H   0.6411000      -1.739000     -0.4625000    
 H  -0.6666000       2.091300       1.155600    
 H  -0.3142000      0.7414000       2.232100    
 H   -2.984700      -1.564200      -1.333500    
 H   -1.364900      -1.736700      -2.005400    
 H   -2.640500       2.058000     -0.4015000    
 H   -3.738800      0.6806000     -0.3844000    
 H   -3.297700      -1.283500       1.183400    
 H   -1.893800      -1.261700       2.248000    
 H    2.013700      0.4769000       1.266700    
 H    2.825600       2.543100      0.2392000    
 H    1.478900       2.639100     -0.8595000    
 H    1.234000       2.830400      0.8965000    
 H    2.261100      0.2704000      -1.716900    
 H    3.922500      -1.180500      -1.336700    


%chk=000058379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058379

0 1
O 3.609269 -1.300484 0.820519
N 2.541588 0.108501 -0.724792
C 0.152577 0.364889 0.082686
C -1.937161 0.273170 -1.388140
C -1.411030 -1.665892 0.156509
C -2.181888 0.541622 1.122101
C -0.460486 0.752306 -1.297599
C 0.059985 -1.183488 0.246993
C -0.707376 1.021677 1.207269
C -1.997521 -1.269404 -1.225586
C -2.768019 0.942241 -0.259420
C -2.243498 -1.000056 1.284123
C 1.651030 0.810060 0.233199
C 1.902584 2.331492 0.118152
C 3.448973 -0.863402 -0.354433
H -2.351986 0.560913 -2.374914
H -1.440895 -2.767441 0.271177
H -2.767747 1.026153 1.928394
H 0.125657 0.287582 -2.118512
H -0.421080 1.850988 -1.442868
H 0.502314 -1.478880 1.219293
H 0.663404 -1.676772 -0.539434
H -0.683664 2.125844 1.117962
H -0.280769 0.762711 2.198490
H -3.046570 -1.617417 -1.311379
H -1.422330 -1.760376 -2.036849
H -2.749578 2.045179 -0.375507
H -3.827202 0.623132 -0.330477
H -3.296241 -1.344563 1.238925
H -1.843074 -1.294253 2.274977
H 1.988806 0.469393 1.231812
H 2.970493 2.546355 0.298085
H 1.639673 2.721075 -0.883552
H 1.315356 2.892967 0.863985
H 2.510357 0.393499 -1.706651
H 4.044552 -1.234922 -1.221437


