%chk=000117644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117644

0 1
 O   -2.760100      3.5599999E-02 -0.9859000    
 O    4.693300      0.8644000      0.8476000    
 O   -1.234800       2.262800     -0.8893000    
 O   -1.536600      -2.363100     -0.7741000    
 N   -1.383700     -4.7699999E-02 -0.7279000    
 C    1.267600     -0.2036000     -4.2900000E-02
 C   0.6969000       1.067700     -0.2559000    
 C   0.5360000      -1.399000     -0.1944000    
 C    2.629900     -0.2830000      0.3342000    
 C  -0.7280000       1.171600     -0.6517000    
 C  -0.8916000      -1.336600     -0.5891000    
 C    3.375700      0.8966000      0.4875000    
 C    1.453400       2.233800     -0.1006000    
 C    1.135200      -2.644300      2.0900000E-02
 C    3.216700      -1.540400      0.5484000    
 C   -4.945500      0.2024000     -1.6000001E-02
 C   -3.450800      0.1117000      0.2568000    
 C    2.791200       2.144000      0.2715000    
 C    2.474600      -2.710600      0.3925000    
 C   -5.749400      0.3031000       1.277100    
 C   -7.238000      0.4369000      0.9988000    
 C    5.647800      0.7978000     -0.2077000    
 H    1.019100       3.216400     -0.2629000    
 H   0.5766000      -3.569000     -9.3699999E-02
 H   -5.264300     -0.6735000     -0.5949000    
 H   -5.143700       1.072100     -0.6549000    
 H    4.258500      -1.636000      0.8456000    
 H   -3.122500      0.9974000      0.8139000    
 H   -3.239200     -0.7798000      0.8595000    
 H    3.375000       3.052800      0.3923000    
 H    2.943100      -3.675600      0.5629000    
 H   -5.414900       1.170800       1.857600    
 H   -5.575700     -0.5864000       1.893700    
 H   -7.448300       1.337000      0.4125000    
 H   -7.612700     -0.4298000      0.4449000    
 H   -7.794600      0.5060000       1.938700    
 H    6.642000      0.6947000      0.2358000    
 H    5.624300       1.718200     -0.7997000    
 H    5.463600     -6.5899998E-02 -0.8543000    


%chk=000117644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117644

0 1
O -2.805502 -0.084316 -0.708087
O 4.994360 0.386549 0.084658
O -1.237629 2.138829 -0.630608
O -1.714461 -2.486292 -0.037087
N -1.412656 -0.189175 -0.396055
C 1.378966 -0.439219 -0.095398
C 0.803704 0.855777 -0.316604
C 0.553538 -1.606778 0.001281
C 2.806442 -0.580151 0.041130
C -0.662598 1.027936 -0.464305
C -0.927234 -1.505780 -0.138899
C 3.626943 0.606403 -0.054684
C 1.636138 1.981365 -0.399911
C 1.128416 -2.868020 0.224872
C 3.367266 -1.874914 0.266263
C -5.065727 0.249780 0.059397
C -3.617014 0.153384 0.535735
C 3.044382 1.868209 -0.271705
C 2.537673 -3.001159 0.356700
C -6.046483 0.476212 1.235036
C -7.512380 0.577491 0.761196
C 5.895279 1.544174 -0.001663
H 1.168731 2.957066 -0.569275
H 0.464604 -3.736149 0.292661
H -5.330103 -0.682152 -0.476019
H -5.150807 1.080181 -0.667321
H 4.452216 -1.966590 0.366384
H -3.272479 1.095440 1.002402
H -3.464533 -0.701877 1.220826
H 3.659725 2.768583 -0.344479
H 2.974601 -3.989858 0.529040
H -5.768096 1.402929 1.776787
H -5.949809 -0.355105 1.962559
H -7.643533 1.419488 0.056171
H -7.825377 -0.347555 0.241968
H -8.199374 0.737604 1.612202
H 6.904027 1.129708 0.134817
H 5.676313 2.275841 0.798324
H 5.818571 2.031647 -0.991507


