%chk=000022775.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022775

1 1
 O    5.107800      0.4351000     -0.8219000    
 O    4.377700      -2.099600      4.2700000E-02
 N   -1.049500      0.3625000      0.8215000    
 C  -0.6199000       1.798600      0.7647000    
 C   -2.467000      9.1300003E-02   1.168500    
 C   0.4745000       1.992300     -0.2815000    
 C   -3.286000     -1.9999999E-04 -0.1114000    
 C    1.548400      0.9476000     -0.1539000    
 C    1.195500     -0.3376000      0.2767000    
 C  -0.2012000     -0.5943000      0.6418000    
 C   -4.751000     -0.3164000      0.1954000    
 C   -5.571400     -0.4516000      -1.087100    
 C    2.869800       1.196300     -0.5308000    
 C    2.133700      -1.365600      0.3415000    
 C    3.820300      0.1752000     -0.4573000    
 C    3.453000      -1.101000     -2.3200000E-02
 C   -7.034800     -0.7326000     -0.7857000    
 H  -0.2684000       2.056900       1.770100    
 H   -1.490900       2.416800      0.5234000    
 H   -2.508600     -0.8456000       1.735900    
 H   -2.819500      0.8966000       1.822400    
 H   0.8991000       2.996800     -0.1712000    
 H   4.7600001E-02   1.922100      -1.290200    
 H   -3.224600      0.9422000     -0.6707000    
 H   -2.876200     -0.7803000     -0.7663000    
 H  -0.5480000      -1.632600      0.7710000    
 H   -4.814800      -1.248600      0.7699000    
 H   -5.173200      0.4789000      0.8217000    
 H   -5.497400      0.4703000      -1.675500    
 H   -5.167900      -1.263300      -1.703600    
 H    3.153200       2.184200     -0.8855000    
 H    1.848800      -2.360200      0.6734000    
 H   -7.602300     -0.8264000      -1.716900    
 H   -7.147500      -1.665200     -0.2236000    
 H   -7.477300      7.8400001E-02 -0.1985000    
 H    5.178400       1.365900      -1.094900    
 H    5.235300      -1.742100     -0.2464000    


%chk=000022775-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022775

1 1
O 5.271140 0.435247 -0.693666
O 4.588926 -2.017162 0.186118
N -1.031082 0.276254 0.760443
C -0.669123 1.726776 0.638117
C -2.450772 -0.062706 1.075813
C 0.453459 1.948443 -0.390911
C -3.357386 -0.039596 -0.177413
C 1.601045 0.972695 -0.178142
C 1.281670 -0.342789 0.297992
C -0.081120 -0.650628 0.638802
C -4.831638 -0.336276 0.186768
C -5.755319 -0.332708 -1.054305
C 2.928704 1.265260 -0.525850
C 2.286558 -1.350325 0.405913
C 3.926509 0.269841 -0.395054
C 3.610780 -1.049016 0.069765
C -7.226590 -0.628536 -0.693957
H -0.356713 2.064441 1.646292
H -1.578092 2.281388 0.356044
H -2.472084 -1.062077 1.546015
H -2.810089 0.670457 1.822017
H 0.797021 2.994436 -0.313789
H 0.052791 1.820549 -1.417108
H -3.295839 0.949878 -0.673007
H -2.992860 -0.789735 -0.906150
H -0.378208 -1.689502 0.824784
H -4.902635 -1.322398 0.689749
H -5.196904 0.416800 0.914891
H -5.687178 0.651939 -1.559226
H -5.393292 -1.085653 -1.782981
H 3.193387 2.259768 -0.904572
H 2.052119 -2.357995 0.762668
H -7.864587 -0.627715 -1.595078
H -7.328734 -1.618236 -0.211395
H -7.628901 0.129905 0.002872
H 5.514534 1.335665 -1.021398
H 5.476205 -1.661890 -0.086561


