%chk=000027348.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027348

0 1
 O    1.147100       3.356700      0.5744000    
 O    4.094500      -2.605800      0.7674000    
 N   -4.121700     -0.1017000      0.3647000    
 N  -0.6794000       1.351300      0.1882000    
 N    4.815700     -0.6466000     -0.2699000    
 C   -4.074300     -0.9407000     -0.8410000    
 C   -5.446800      0.5111000      0.5336000    
 C   -5.120800      -2.054500     -0.7799000    
 C   -6.538200     -0.5551000      0.6396000    
 C   -6.520100      -1.489100     -0.5651000    
 C   -3.084700      0.9284000      0.3123000    
 C   -1.695200      0.3097000      0.2689000    
 C   0.6626000       1.085100      0.1034000    
 C    1.145300     -0.1675000      8.8000000E-02
 C    1.520800       2.307500      5.0299998E-02
 C    2.509500     -0.6313000      0.1097000    
 C    2.765100       2.313900     -0.7540000    
 C    3.605700     -3.5999999E-03 -0.3395000    
 C    3.631200       1.311900     -0.9342000    
 C    4.975200      -1.909300      0.2677000    
 C    6.408400      -2.370400      0.2154000    
 H   -3.119300      -1.461700     -0.9436000    
 H   -4.225500     -0.3391000      -1.746800    
 H   -5.673600       1.187800     -0.3009000    
 H   -5.465700       1.109400       1.452700    
 H   -4.876800      -2.745200      3.7500001E-02
 H   -5.097500      -2.637100      -1.708000    
 H   -7.519500     -7.3700003E-02  0.7191000    
 H   -6.393200      -1.139400       1.557200    
 H   -6.833700     -0.9381000      -1.460300    
 H   -7.237400      -2.304300     -0.4203000    
 H   -3.229700       1.590700     -0.5522000    
 H   -3.150000       1.562800       1.206300    
 H   -1.537400     -0.3035000       1.164700    
 H   -1.570300     -0.3168000     -0.6171000    
 H  -0.9651000       2.325100      0.2070000    
 H   0.4496000      -1.004900      0.1308000    
 H    2.449600      -1.616300      0.5348000    
 H    2.995000       3.274300      -1.211400    
 H    4.496500       1.527800      -1.560400    
 H    5.633200     -0.1598000     -0.6291000    
 H    6.458200      -3.441500      0.4296000    
 H    6.993500      -1.825900      0.9615000    
 H    6.829600      -2.193700     -0.7785000    


%chk=000027348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027348

0 1
O 0.683313 3.331849 -0.785938
O 4.428193 -2.885301 0.554608
N -4.202833 -0.084122 0.110224
N -0.686060 1.232091 -0.256385
N 5.007851 -0.663540 0.030848
C -4.516384 -0.826087 -1.139938
C -5.431873 0.487792 0.721525
C -5.504796 -1.977734 -0.868977
C -6.447561 -0.624285 1.053431
C -6.796857 -1.444033 -0.209535
C -3.123657 0.910139 -0.065659
C -1.732437 0.243439 0.005046
C 0.664222 1.012077 -0.241160
C 1.205742 -0.264317 0.040872
C 1.405539 2.276911 -0.556359
C 2.540085 -0.722187 0.110180
C 2.847099 2.347343 -0.608515
C 3.739485 -0.002884 -0.088376
C 3.838572 1.387335 -0.411823
C 5.303743 -1.994767 0.329585
C 6.796765 -2.317924 0.371072
H -3.578348 -1.228741 -1.564138
H -4.956827 -0.136122 -1.908704
H -5.917666 1.233639 0.037362
H -5.142993 1.024638 1.644334
H -5.020977 -2.712370 -0.196905
H -5.735937 -2.493641 -1.820739
H -7.357986 -0.171199 1.490719
H -6.003178 -1.292264 1.816402
H -7.336974 -0.796043 -0.930970
H -7.476143 -2.279049 0.045701
H -3.215186 1.472429 -1.030276
H -3.196200 1.655884 0.748657
H -1.607747 -0.208255 1.009279
H -1.668712 -0.583996 -0.731768
H -0.914629 2.216257 -0.486495
H 0.463104 -1.046907 0.243377
H 2.670280 -1.782087 0.351984
H 3.193074 3.360650 -0.852021
H 4.865577 1.770837 -0.526541
H 5.818183 -0.061155 -0.129000
H 7.006550 -3.129220 -0.347012
H 7.052509 -2.697960 1.375358
H 7.452472 -1.460218 0.139274


