%chk=000118218.chk
%nprocshared=8
%mem=61GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118218

0 1
 O   -1.834100       2.660500      0.6192000    
 O   -4.322900     -0.6537000      -1.525400    
 O  -0.3530000      -2.246800      -1.048900    
 N   -1.422800     -0.7792000      0.3810000    
 N   -2.960700       1.039900     -0.6466000    
 C   -1.536200      0.3689000       1.257900    
 C   -2.762600      -1.281900      0.1836000    
 C   -2.615000     -3.9500002E-02   2.261400    
 C   -3.414500      -1.146700       1.555700    
 C   -2.065000       1.479400      0.3567000    
 C   -3.396900     -0.2979000     -0.7952000    
 C  -0.3358000      -1.250300     -0.3263000    
 C   -3.545600       2.046000      -1.521700    
 C   0.9257000     -0.4958000     -0.2002000    
 C    2.101100      -1.090700     -0.2918000    
 C    3.386500     -0.3822000     -0.1633000    
 C    3.426700      0.9901000     -0.3512000    
 C    4.530500      -1.101400      0.1429000    
 C    4.643500       1.661000     -0.2299000    
 C    5.747400     -0.4304000      0.2643000    
 C    5.803700      0.9508000      7.7799998E-02
 H  -0.5897000      0.6595000       1.718200    
 H   -2.779900      -2.293100     -0.2316000    
 H   -3.256600      0.7954000       2.562200    
 H   -2.154100     -0.4498000       3.167500    
 H   -3.309200      -2.081300       2.119000    
 H   -4.481300     -0.9062000       1.502200    
 H   -4.454200       2.424500      -1.043300    
 H   -3.808400       1.610400      -2.489800    
 H   -2.850800       2.877000      -1.672500    
 H   0.8228000      0.5649000     -8.9999996E-03
 H    2.166800      -2.164000     -0.4534000    
 H    2.558500       1.584000     -0.6180000    
 H    4.502500      -2.177500      0.2923000    
 H    4.689500       2.735600     -0.3810000    
 H    6.651000     -0.9832000      0.5038000    
 H    6.751400       1.473000      0.1709000    


%chk=000118218-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000118218

0 1
O -2.236742 2.852821 0.172592
O -4.434797 -0.896659 -1.567536
O -0.249887 -2.370692 -0.570549
N -1.429039 -0.619803 0.381719
N -3.298139 0.996192 -0.788729
C -1.714634 0.632010 1.105219
C -2.750464 -1.243351 0.199419
C -2.723307 0.170339 2.219635
C -3.393353 -1.112763 1.621746
C -2.410323 1.606827 0.137870
C -3.564061 -0.407872 -0.806101
C -0.232703 -1.211446 -0.041433
C -4.014349 1.860448 -1.757803
C 1.012832 -0.423380 0.152701
C 2.221803 -0.975513 -0.170960
C 3.547227 -0.348852 -0.073082
C 3.747097 1.002846 0.336101
C 4.692424 -1.127775 -0.408108
C 5.043005 1.547962 0.409230
C 5.991099 -0.582846 -0.333266
C 6.171843 0.758279 0.076480
H -0.825495 1.129773 1.513020
H -2.659245 -2.271186 -0.177746
H -3.449630 0.965134 2.459275
H -2.163741 -0.066275 3.139611
H -3.135957 -2.006006 2.214026
H -4.492329 -1.040753 1.569914
H -4.969979 2.213194 -1.332436
H -4.224779 1.272072 -2.662624
H -3.382480 2.731370 -1.985208
H 0.941690 0.601914 0.531278
H 2.188822 -2.007758 -0.550086
H 2.886593 1.631998 0.589688
H 4.553225 -2.167623 -0.728014
H 5.179328 2.589069 0.722139
H 6.858216 -1.199026 -0.594555
H 7.178527 1.186631 0.134076


