%chk=000042079.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042079

0 1
 O   0.7871000      0.8034000      0.9357000    
 N    3.349100      0.2325000      8.5100003E-02
 N   3.9299998E-02  -1.149800     -0.1310000    
 C    2.384900     -0.8583000      0.2234000    
 C    3.024700       1.057200      -1.078200    
 C    4.707600     -0.2974000     -2.6600000E-02
 C   0.9909000     -0.2812000      0.3996000    
 C    3.999000       2.178800      -1.237700    
 C    5.081000      -1.094300       1.181000    
 C   -1.364900     -0.9764000     -0.1639000    
 C   -3.304000      0.3401000      0.3464000    
 C   -1.919900      0.1704000      0.3793000    
 C   -3.918800       1.569300      0.9263000    
 C   -2.154600      -1.958400     -0.7389000    
 C   -4.113400     -0.6394000     -0.2292000    
 C   -3.538700      -1.788500     -0.7720000    
 C   -4.049200       2.692200     -9.9299997E-02
 H    2.424900      -1.533900     -0.6401000    
 H    2.554000      -1.447700       1.130900    
 H    3.005300      0.4579000      -1.998300    
 H    2.036300       1.517600     -0.9862000    
 H    4.835100     -0.9043000     -0.9321000    
 H    5.438700      0.5159000     -7.4199997E-02
 H    4.169400       2.716000     -0.2980000    
 H    4.963500       1.852900      -1.640100    
 H    3.606000       2.909700      -1.954400    
 H    4.849100     -0.5654000       2.112200    
 H    4.599400      -2.076900       1.206800    
 H    6.160700      -1.284200       1.181600    
 H   0.3706000      -2.020000     -0.5417000    
 H   -1.349900      0.9658000      0.8361000    
 H   -4.909500       1.334100       1.335100    
 H   -3.324600       1.921300       1.778800    
 H   -1.717400      -2.857300      -1.164700    
 H   -5.192900     -0.5181000     -0.2628000    
 H   -4.168900      -2.550900      -1.220700    
 H   -3.070100       2.982200     -0.4955000    
 H   -4.504300       3.574200      0.3621000    
 H   -4.677200       2.387100     -0.9432000    


%chk=000042079-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042079

0 1
O 0.803636 0.748625 0.921354
N 3.463884 0.080172 -0.123972
N 0.001765 -1.081473 -0.315128
C 2.417979 -0.927896 0.069274
C 3.285343 0.861272 -1.376330
C 4.834008 -0.461074 0.057827
C 1.011857 -0.311035 0.267489
C 4.024791 2.211947 -1.358826
C 5.148952 -0.857034 1.513602
C -1.411456 -0.896951 -0.268891
C -3.438257 0.313870 0.418240
C -2.027138 0.186189 0.409564
C -4.084425 1.508640 1.106574
C -2.214565 -1.859304 -0.939491
C -4.230567 -0.651659 -0.252504
C -3.616894 -1.731369 -0.927430
C -4.134783 2.758373 0.186168
H 2.378556 -1.679806 -0.770124
H 2.642815 -1.500065 0.989145
H 3.593479 0.267246 -2.276573
H 2.204816 1.067894 -1.482521
H 5.026065 -1.333495 -0.621675
H 5.541018 0.331239 -0.243762
H 3.718958 2.789179 -0.469801
H 5.123362 2.095726 -1.337989
H 3.771979 2.794088 -2.264334
H 4.938592 -0.009085 2.187768
H 4.557376 -1.724994 1.857642
H 6.215890 -1.130789 1.609696
H 0.318632 -1.894247 -0.850894
H -1.397186 0.916607 0.922795
H -5.113502 1.249859 1.421196
H -3.520655 1.763764 2.023951
H -1.743419 -2.702746 -1.461307
H -5.323123 -0.559459 -0.243692
H -4.231751 -2.478490 -1.441597
H -3.117197 3.058240 -0.122398
H -4.602805 3.613177 0.708217
H -4.717728 2.551063 -0.729664


