%chk=000044637.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044637

1 1
 O  -0.9995000     -0.9702000       1.780500    
 O    4.142900       2.447200      4.9600001E-02
 N   -2.071600       1.156600      7.1000000E-03
 N    3.032700      -2.962800     -0.1958000    
 C  -0.9374000      0.1560000     -0.3486000    
 C   -3.065100     -0.8490000      -1.291100    
 C   -3.175400      0.4898000      0.8476000    
 C   -2.708400       1.645100      -1.313200    
 C   -1.555900      -1.041900      -1.092500    
 C   -3.714100     -0.7445000      0.1056000    
 C   -3.275200      0.4506000      -2.076700    
 C   -1.533600       2.376400      0.7488000    
 C  -0.1355000     -0.2935000      0.8719000    
 C   -5.213200     -0.7315000      4.1800000E-02
 C   -2.696300       3.307400       1.052400    
 C  -0.4753000       3.039600     -0.1179000    
 C    1.005700      -1.204900      0.4926000    
 C   -6.030700      -1.639300      0.5891000    
 C    2.280300     -0.7108000      0.2155000    
 C   0.7361000      -2.558600      0.4295000    
 C    3.282300      -1.641300     -0.1308000    
 C    2.576000      0.6618000      0.2738000    
 C    1.780100      -3.391600      8.2000002E-02
 C    4.557600      -1.157300     -0.4089000    
 C    3.860200       1.118200     -9.3000000E-03
 C    4.851900      0.2072000     -0.3511000    
 C    5.481200       2.841400     -0.2516000    
 H  -0.2820000      0.6487000      -1.072900    
 H   -3.477400      -1.696200      -1.852200    
 H   -3.995800       1.206800      0.9429000    
 H   -2.818100      0.2897000       1.859500    
 H   -1.952400       2.135600      -1.930800    
 H   -3.531500       2.329900      -1.105900    
 H   -1.431500      -2.013300     -0.6234000    
 H   -1.071400      -1.135700      -2.074100    
 H   -3.427800      -1.636400      0.6774000    
 H   -4.335700      0.6142000      -2.298900    
 H   -2.781000      0.3767000      -3.053900    
 H   -1.107200       2.039600       1.697900    
 H   0.2535000      0.5405000       1.453500    
 H   -5.682100      9.8499998E-02 -0.4825000    
 H   -2.288700       4.180900       1.581200    
 H   -3.201100       3.735400      0.1849000    
 H   -3.431100       2.900700       1.750500    
 H   4.1600000E-02   3.790200      0.4950000    
 H  -0.9017000       3.609300     -0.9502000    
 H   0.3111000       2.402200     -0.5085000    
 H   -1.495100      -1.674000       1.340300    
 H   -7.106400      -1.538800      0.4954000    
 H   -5.643600      -2.491900       1.135500    
 H  -0.2101000      -3.022700      0.6712000    
 H    1.845000       1.406900      0.5573000    
 H    1.639700      -4.466100      2.4200000E-02
 H    5.351500      -1.851600     -0.6791000    
 H    5.873900      0.4855000     -0.5846000    
 H    5.748400       2.599600      -1.286000    
 H    6.194300       2.426400      0.4687000    
 H    5.526600       3.931100     -0.1556000    


%chk=000044637-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044637

1 1
O -1.048387 -0.656337 2.267736
O 3.980722 2.334509 -0.830640
N -2.143191 1.105007 0.154666
N 3.114052 -3.065731 0.471958
C -0.909223 0.135211 -0.030853
C -2.743413 -0.870428 -1.472030
C -3.371645 0.304669 0.664987
C -2.492385 1.636458 -1.254040
C -1.408260 -1.149960 -0.746542
C -3.847103 -0.761326 -0.377738
C -2.621256 0.457283 -2.256748
C -1.821660 2.284701 1.153113
C -0.097985 -0.152754 1.267006
C -5.227748 -0.450193 -0.926574
C -3.051152 3.159288 1.474005
C -0.669280 3.175106 0.643032
C 1.033473 -1.144880 0.980374
C -6.281214 -1.300087 -0.868182
C 2.279411 -0.708310 0.389421
C 0.883493 -2.499216 1.298787
C 3.290776 -1.727650 0.151884
C 2.575542 0.640452 0.036873
C 1.945261 -3.421828 1.033925
C 4.538818 -1.346824 -0.433116
C 3.812395 0.983008 -0.534063
C 4.806595 -0.022478 -0.775471
C 5.266723 2.776249 -1.398424
H -0.233189 0.689837 -0.705585
H -2.988113 -1.696210 -2.160013
H -4.167634 1.040365 0.845706
H -3.057635 -0.148871 1.615522
H -1.703457 2.343409 -1.550781
H -3.438845 2.190632 -1.148113
H -1.544551 -1.963664 -0.013710
H -0.630256 -1.474673 -1.457807
H -3.897614 -1.737674 0.139298
H -3.501141 0.617571 -2.901225
H -1.740425 0.415456 -2.921608
H -1.523525 1.752015 2.072297
H 0.352675 0.789734 1.639977
H -5.366613 0.535492 -1.399414
H -2.700789 4.003010 2.094243
H -3.511759 3.599616 0.572304
H -3.824727 2.638572 2.059216
H -0.284683 3.758960 1.497228
H -1.011734 3.902146 -0.113395
H 0.183980 2.619242 0.223977
H -0.551393 -0.976740 3.063252
H -7.257616 -1.034501 -1.286635
H -6.200181 -2.290268 -0.402029
H -0.043818 -2.870821 1.746861
H 1.874221 1.458843 0.222533
H 1.827818 -4.481473 1.285886
H 5.275800 -2.138459 -0.596187
H 5.771787 0.240049 -1.216912
H 5.455250 2.298546 -2.377579
H 6.100657 2.565909 -0.703909
H 5.157848 3.861813 -1.529642


