%chk=000093611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093611

0 1
 O   -2.417100       2.415400     -0.1716000    
 O    5.764700     -0.2456000      0.1802000    
 O    3.741800      -1.302800     -0.1526000    
 N   -2.552000      0.1038000     -0.3959000    
 N   -4.779900     -0.1813000      0.5575000    
 C   -3.147100      -2.167100     -0.7029000    
 C   -3.991700      1.8900000E-02 -0.6772000    
 C   -4.077200      -1.261300      -1.511900    
 C   -1.947100      -1.234700     -0.4748000    
 C   -3.862400      -2.514000      0.6146000    
 C   -4.257400      -1.260300       1.413700    
 C   -4.965200       1.049600       1.319200    
 C   -1.887000       1.308600     -0.2346000    
 C  -0.4215000       1.257200     -0.1418000    
 C   0.3489000       1.349300      -1.297400    
 C   0.1879000       1.118400       1.102100    
 C    1.740200       1.302000      -1.208500    
 C    1.579200       1.071300       1.190900    
 C    2.355300       1.163100      3.5599999E-02
 C    3.842900       1.111600      0.1299000    
 C    4.406900     -0.2924000      3.1900000E-02
 C    6.436400      -1.507400      0.1081000    
 C    7.901600      -1.302100      0.2856000    
 H   -2.867400      -3.078900      -1.238400    
 H   -4.340500      0.8900000      -1.242600    
 H   -3.671500      -1.097000      -2.518100    
 H   -5.095700      -1.650900      -1.613500    
 H   -1.380700      -1.456300      0.4344000    
 H   -1.268200      -1.249500      -1.334400    
 H   -3.219200      -3.150200       1.233800    
 H   -4.764800      -3.095700      0.3869000    
 H   -5.013500      -1.541000       2.156800    
 H   -3.381100     -0.9131000       1.977700    
 H   -4.032200       1.418600       1.757300    
 H   -5.678000      0.8858000       2.135300    
 H   -5.389700       1.837800      0.6881000    
 H  -0.1212000       1.457000      -2.271300    
 H  -0.4086000       1.045000       2.007600    
 H    2.333400       1.372200      -2.116400    
 H    2.046000      0.9602000       2.166000    
 H    4.287500       1.716000     -0.6703000    
 H    4.167200       1.546700       1.083300    
 H    6.053400      -2.165700      0.8961000    
 H    6.239100      -1.966100     -0.8675000    
 H    8.443500      -2.250900      0.2353000    
 H    8.298300     -0.6330000     -0.4854000    
 H    8.115500     -0.8295000       1.250200    


%chk=000093611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093611

0 1
O -2.192283 2.176457 -1.050584
O 5.596240 -0.159143 0.067946
O 4.463806 -0.746443 2.017800
N -2.412218 -0.041825 -0.382140
N -4.821936 -0.144084 0.265208
C -3.118129 -2.326526 -0.565609
C -3.859937 -0.103116 -0.848090
C -3.861279 -1.446937 -1.601800
C -1.894287 -1.432945 -0.196583
C -4.074580 -2.528393 0.642380
C -4.473080 -1.173926 1.281628
C -5.071999 1.174858 0.887508
C -1.670828 1.120023 -0.554944
C -0.215481 1.115326 -0.154900
C 0.693408 1.826422 -0.978735
C 0.267274 0.523651 1.040351
C 2.058098 1.909846 -0.635066
C 1.628029 0.626952 1.395747
C 2.541966 1.313086 0.556133
C 4.017438 1.436730 0.938516
C 4.687072 0.075388 1.098130
C 6.300956 -1.481779 0.101825
C 7.249410 -1.505213 -1.091731
H -2.788621 -3.301108 -0.965175
H -4.054053 0.783796 -1.469202
H -3.298596 -1.358609 -2.548767
H -4.884547 -1.794907 -1.812539
H -1.566802 -1.620705 0.841757
H -1.034631 -1.621495 -0.867146
H -3.602011 -3.159880 1.419062
H -4.978489 -3.059019 0.288382
H -5.342217 -1.314300 1.951175
H -3.627603 -0.813538 1.921553
H -4.189459 1.569394 1.444368
H -5.918800 1.092316 1.592944
H -5.336753 1.909343 0.108684
H 0.308625 2.321091 -1.876340
H -0.424487 0.012011 1.717439
H 2.750807 2.450824 -1.290491
H 1.989641 0.168977 2.322940
H 4.564050 2.022671 0.183443
H 4.105215 1.953511 1.912958
H 6.828833 -1.567341 1.068763
H 5.536878 -2.278591 0.055307
H 7.794093 -2.466656 -1.117449
H 6.694208 -1.395455 -2.038826
H 7.988860 -0.689041 -1.024828


