%chk=000084912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084912

0 1
 O  -0.4918000       1.016200     -0.6971000    
 O    5.123500      -1.669700      0.1055000    
 O    5.543300      0.3398000      0.8831000    
 N    4.760000     -0.4997000      0.3769000    
 C   -3.913500     -0.4252000     -0.1220000    
 C   -5.277500      0.1631000      0.2499000    
 C   -2.807700      0.6238000     -0.2274000    
 C   -6.378800     -0.8899000      0.3794000    
 C   -1.479600     -3.1000001E-03 -0.6307000    
 C   -7.725900     -0.2490000      0.6778000    
 C   0.8005000      0.6434000     -0.4328000    
 C    1.217300     -0.6493000     -0.7292000    
 C    1.680700       1.561400      0.1283000    
 C    3.421400     -0.1139000      0.1022000    
 C    2.532300      -1.029200     -0.4606000    
 C    2.995800       1.181400      0.3968000    
 H   -4.003100     -0.9546000      -1.078800    
 H   -3.631100      -1.174100      0.6284000    
 H   -5.187700      0.7093000       1.197100    
 H   -5.566000      0.8978000     -0.5123000    
 H   -2.690800       1.147000      0.7298000    
 H   -3.084000       1.393400     -0.9586000    
 H   -6.453100      -1.465500     -0.5504000    
 H   -6.125500      -1.595200       1.179200    
 H   -1.227600     -0.7634000      0.1202000    
 H   -1.571900     -0.4784000      -1.614100    
 H   -8.499100      -1.018300      0.7692000    
 H   -7.693200      0.3133000       1.616500    
 H   -8.021100      0.4357000     -0.1236000    
 H   0.5653000      -1.382500      -1.193900    
 H    1.352500       2.570900      0.3592000    
 H    2.831200      -2.044600     -0.7086000    
 H    3.660400       1.921100      0.8359000    


%chk=000084912-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084912

0 1
O -0.460610 0.859234 0.187890
O 5.433598 -1.484383 -0.637262
O 5.884852 0.696248 -0.133471
N 5.061321 -0.282595 -0.331308
C -4.030403 -0.493792 0.027714
C -5.409858 0.175778 0.220937
C -2.857541 0.500859 0.194359
C -6.590212 -0.810678 0.067742
C -1.503246 -0.177498 -0.011908
C -7.964880 -0.134334 0.258907
C 0.873180 0.497636 0.043855
C 1.321455 -0.810995 -0.288513
C 1.813000 1.544988 0.253731
C 3.619898 -0.013245 -0.201045
C 2.699616 -1.063232 -0.410994
C 3.185383 1.294120 0.132291
H -3.988671 -0.955707 -0.980955
H -3.923255 -1.323451 0.757418
H -5.453654 0.644588 1.225949
H -5.524379 1.000440 -0.512771
H -2.884405 0.950513 1.205218
H -2.959167 1.330455 -0.530953
H -6.544641 -1.281220 -0.935694
H -6.475460 -1.633174 0.802965
H -1.347635 -0.994618 0.721933
H -1.413855 -0.590722 -1.037370
H -8.791898 -0.858271 0.141844
H -8.049423 0.314982 1.266366
H -8.115595 0.673514 -0.481779
H 0.612530 -1.626739 -0.451014
H 1.436721 2.539567 0.508896
H 3.075278 -2.057743 -0.665821
H 3.927155 2.081475 0.288144


