%chk=000006037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006037

0 1
 O    7.863900       2.105700      -1.367300    
 O    4.249900       1.458200       2.086400    
 O    5.860300       1.788600      -2.384500    
 O    7.468900      -3.574900     -0.9839000    
 O    8.206100      -2.622500      0.9389000    
 O   -6.589000       2.327500      0.4909000    
 N    4.707800      0.9130000     -0.1208000    
 N   -1.639100      2.2000000E-03  0.1226000    
 N   -4.759700      0.3856000      0.6113000    
 N   -7.669600      -1.289400     -0.8254000    
 N   -5.493100      -2.163800     -0.3085000    
 N   -8.223800      0.9915000     -0.4182000    
 N   -9.767200     -0.5139000      -1.341200    
 C    6.131500       1.126500     -5.6600001E-02
 C    6.899800     -0.1291000      0.3732000    
 C    6.788700      -1.335500     -0.5679000    
 C    3.874300       1.099800      0.9732000    
 C    2.433800      0.8124000      0.7510000    
 C    6.572200       1.685000      -1.394000    
 C  -0.2712000      0.2734000      0.3336000    
 C   -2.521600     -0.4032000       1.172500    
 C    1.627900      0.4195000       1.819600    
 C    1.887100      0.9359000     -0.5263000    
 C   0.2754000      0.1500000       1.611000    
 C   0.5345000      0.6664000     -0.7350000    
 C   -3.903100     -0.6520000      0.6336000    
 C    7.554000      -2.551900     -9.3400002E-02
 C   -5.985500      0.1140000      0.1195000    
 C   -6.368000      -1.135900     -0.3393000    
 C   -4.262900      -1.902800      0.1822000    
 C   -6.955400       1.231000      7.9599999E-02
 C   -8.527100     -0.2112000     -0.8368000    
 H    6.309800       1.915800      0.6850000    
 H    6.554500     -0.4325000       1.370500    
 H    7.962200      0.1236000      0.4871000    
 H    5.737800      -1.627700     -0.6703000    
 H    7.176800      -1.065500      -1.556300    
 H    4.337900      0.5365000     -0.9875000    
 H   -2.590100      0.3770000       1.941100    
 H   -2.164600      -1.317300       1.663400    
 H    2.036700      0.3140000       2.821200    
 H    2.471200       1.269200      -1.378900    
 H   -1.992000      0.1134000     -0.8219000    
 H  -0.3154000     -0.1518000       2.470600    
 H   0.1186000      0.7730000      -1.733600    
 H   -3.579500      -2.744000      0.1943000    
 H    8.143500       2.482100      -2.228900    
 H   -7.947900      -2.203200      -1.160000    
 H    7.978300      -4.359500     -0.6888000    
 H   -9.993800      -1.448500      -1.662900    
 H   -10.49370      0.1908000      -1.405400    


%chk=000006037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006037

0 1
O 7.911700 2.450733 -0.747665
O 4.524928 0.202704 2.255640
O 5.840871 2.569278 -1.789361
O 7.236465 -2.909805 -2.539628
O 8.059566 -2.849800 -0.369734
O -4.872354 0.094751 -2.874700
N 4.686832 0.926596 0.063427
N -1.753339 -0.086164 0.653920
N -4.263764 -0.269778 -0.084253
N -7.909737 -0.686655 -0.199682
N -6.451001 -0.803753 1.652533
N -7.152946 -0.243699 -2.450515
N -9.418744 -0.582547 -2.017987
C 6.134821 1.112285 0.188995
C 6.938164 -0.222275 0.092728
C 6.709132 -0.957381 -1.238093
C 3.943066 0.480334 1.152418
C 2.466920 0.346898 0.965958
C 6.568960 2.107441 -0.879402
C -0.380174 0.051945 0.776428
C -2.645536 -0.369549 1.761620
C 1.681520 0.066879 2.114120
C 1.799521 0.468941 -0.286809
C 0.287805 -0.076183 2.033861
C 0.408732 0.324891 -0.385059
C -4.074865 -0.457894 1.250093
C 7.407748 -2.301014 -1.284016
C -5.531320 -0.342918 -0.579206
C -6.614207 -0.612026 0.310362
C -5.174465 -0.724454 2.112499
C -5.796520 -0.143731 -2.053844
C -8.119384 -0.496506 -1.573960
H 6.356758 1.540330 1.186987
H 6.616979 -0.853494 0.938152
H 8.010041 -0.000448 0.234974
H 5.627984 -1.131434 -1.403522
H 7.057608 -0.368187 -2.108878
H 4.243508 1.321060 -0.770066
H -2.589110 0.418098 2.547303
H -2.381678 -1.326318 2.267603
H 2.202724 -0.037488 3.071749
H 2.358759 0.655437 -1.211708
H -2.222042 0.004018 -0.256949
H -0.282037 -0.288832 2.944215
H -0.085859 0.415208 -1.359323
H -5.031502 -0.876880 3.187419
H 8.163128 3.098109 -1.460947
H -8.662553 -0.882099 0.466345
H 7.694732 -3.793958 -2.536312
H -10.213493 -0.771746 -1.412789
H -9.562241 -0.443419 -3.016239


