%chk=000227277.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227277

0 1
 O   -2.910600       1.925700       1.283900    
 O   -3.750900     -7.6099999E-02   2.000300    
 C  -0.5485000     -0.7238000     -0.1382000    
 C   -1.574800      0.3015000     -0.7587000    
 C   0.8044000     -0.6062000     -0.9541000    
 C   -3.056600      0.1416000     -0.2860000    
 C   -1.119000      -2.157400     -0.2938000    
 C   -1.027300       1.742800     -0.6713000    
 C    1.314800      0.8279000     -0.9875000    
 C   -3.500400      -1.333000     -0.3948000    
 C   -2.532200      -2.312500      0.2571000    
 C    1.881000      -1.629700     -0.5142000    
 C   0.3134000       1.877600      -1.392400    
 C  -0.2871000     -0.4518000       1.368000    
 C    3.280400      -1.241300     -0.9832000    
 C    3.683000      0.1514000     -0.4790000    
 C   -4.013400      0.9821000      -1.158300    
 C    2.594400       1.156000     -0.7359000    
 C   -3.283500      0.6334000       1.122400    
 C    4.061900      0.1493000       1.002100    
 C    5.142400     -0.8934000       1.276500    
 C    4.528800       1.535900       1.437100    
 H   -1.606700      6.5300003E-02  -1.835600    
 H   0.5739000     -0.8518000      -2.002800    
 H  -0.4715000      -2.887000      0.2074000    
 H   -1.128800      -2.433300      -1.356700    
 H  -0.8593000       2.053600      0.3633000    
 H   -1.719200       2.460800      -1.121600    
 H   -3.590500      -1.602800      -1.456300    
 H   -4.499500      -1.479100      3.6100000E-02
 H   -2.531800      -2.201200       1.345700    
 H   -2.878000      -3.334700      6.0500000E-02
 H    1.632100      -2.614200     -0.9288000    
 H    1.906900      -1.755800      0.5708000    
 H   0.7050000       2.888600      -1.225900    
 H   0.1436000       1.785300      -2.473100    
 H   0.3238000      -1.240500       1.818300    
 H   0.2375000      0.4929000       1.537600    
 H   -1.199200     -0.4267000       1.962400    
 H    4.001900      -2.019800     -0.7226000    
 H    3.274000      -1.222300      -2.082700    
 H    4.558300      0.4590000      -1.068300    
 H   -3.911500      0.7200000      -2.217500    
 H   -5.058500      0.8049000     -0.8751000    
 H   -3.848300       2.060200      -1.067600    
 H    2.895300       2.199300     -0.7968000    
 H    3.190700     -0.1053000       1.620100    
 H    5.973400     -0.8123000      0.5677000    
 H    5.555200     -0.7643000       2.283600    
 H    4.746500      -1.912600       1.241400    
 H    5.349300       1.898600      0.8082000    
 H    4.891200       1.513000       2.471100    
 H    3.719900       2.272400       1.408800    
 H   -3.057200       2.237400       2.202300    


%chk=000227277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227277

0 1
O -3.090056 1.984360 1.390291
O -3.778415 -0.084535 2.132168
C -0.553387 -0.711957 -0.123331
C -1.579498 0.313283 -0.749355
C 0.785024 -0.620229 -0.979710
C -3.081661 0.161770 -0.256740
C -1.118175 -2.156291 -0.279159
C -1.021883 1.758404 -0.717830
C 1.326827 0.806203 -1.042724
C -3.517480 -1.327437 -0.396306
C -2.548574 -2.323151 0.270319
C 1.865999 -1.649048 -0.544586
C 0.316314 1.848541 -1.491212
C -0.266672 -0.404292 1.371773
C 3.273764 -1.263753 -1.050819
C 3.721408 0.113646 -0.490365
C -4.017797 1.028604 -1.159284
C 2.627342 1.127983 -0.796878
C -3.334647 0.612812 1.189264
C 4.122664 0.093026 1.028871
C 5.297867 -0.876818 1.304795
C 4.489293 1.512312 1.528150
H -1.653503 0.029090 -1.826707
H 0.473706 -0.883380 -2.019851
H -0.441032 -2.873620 0.222148
H -1.116468 -2.418945 -1.359874
H -0.878819 2.095046 0.322989
H -1.745822 2.458548 -1.172296
H -3.579262 -1.551332 -1.481511
H -4.534077 -1.449582 0.021516
H -2.569705 -2.180374 1.365467
H -2.899121 -3.356369 0.079837
H 1.596719 -2.653718 -0.920203
H 1.896718 -1.725015 0.558343
H 0.743241 2.865437 -1.399673
H 0.100444 1.688853 -2.571476
H 0.359524 -1.195948 1.821624
H 0.269298 0.553100 1.494847
H -1.191387 -0.361467 1.970362
H 3.999251 -2.055622 -0.787316
H 3.258459 -1.200552 -2.157533
H 4.637420 0.429207 -1.038786
H -3.829317 0.786974 -2.221579
H -5.077616 0.800656 -0.940893
H -3.862929 2.107764 -1.006259
H 2.926663 2.183544 -0.874652
H 3.239866 -0.249990 1.607817
H 6.180253 -0.605548 0.692287
H 5.599990 -0.829180 2.367948
H 5.039829 -1.926946 1.080385
H 5.337433 1.925685 0.947056
H 4.791631 1.487056 2.591815
H 3.638242 2.208909 1.432956
H -3.309187 2.201885 2.337780


