%chk=000041048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041048

0 1
 O    2.807200      0.1547000      0.9915000    
 O   -4.355500     -3.0500000E-02 -7.0900001E-02
 O   -7.572900      -1.394900     -8.5299999E-02
 O   -6.805000      0.5516000     -0.7630000    
 N    3.619500      -3.157400     -0.3952000    
 N   0.5202000       1.464500      0.1948000    
 N   -6.610900     -0.5886000     -0.2486000    
 C    2.882900      -2.152000      0.3563000    
 C    4.987900      -3.284200      0.1119000    
 C    2.936600      -4.452100     -0.3360000    
 C    3.569000     -0.7989000      0.2582000    
 C    5.787400      -4.281500     -0.7093000    
 C    1.513400      -4.346600     -0.8573000    
 C    2.864400       1.451900      0.5632000    
 C    1.703000       2.106900      0.1626000    
 C    1.811900       3.445000     -0.2703000    
 C    4.108100       2.087800      0.5430000    
 C    3.062800       4.084900     -0.2909000    
 C   0.6432000       4.104900     -0.6737000    
 C    4.207900       3.405800      0.1153000    
 C  -0.5841000       2.137200     -0.2027000    
 C  -0.5771000       3.445600     -0.6416000    
 C   -1.833500       1.395700     -0.1481000    
 C   -1.962500      0.1238000      0.3019000    
 C   -3.207600     -0.5832000      0.3717000    
 C   -3.404100      -1.839700      0.8638000    
 C   -5.323300     -0.9600000      0.1428000    
 C   -4.789100      -2.090600      0.7159000    
 H    2.762600      -2.432300       1.411500    
 H    1.871800      -2.003000     -3.8699999E-02
 H    5.539700      -2.346600      6.0999999E-03
 H    5.010400      -3.567800       1.171400    
 H    3.435200      -5.180700     -0.9833000    
 H    2.925900      -4.863200      0.6814000    
 H    3.663500     -0.4986000     -0.7940000    
 H    4.558900     -0.7997000      0.7208000    
 H    5.511100      -5.318200     -0.4939000    
 H    5.682100      -4.100400      -1.784600    
 H    6.852100      -4.187500     -0.4663000    
 H   0.8400000      -3.862300     -0.1434000    
 H    1.467500      -3.812400      -1.812500    
 H    1.111500      -5.351900      -1.028100    
 H    5.005800       1.569300      0.8686000    
 H    3.151800       5.116800     -0.6232000    
 H   0.6780000       5.136900      -1.015200    
 H    5.172300       3.904400      0.1003000    
 H   -1.480400       3.958800     -0.9543000    
 H   -2.717600       1.930300     -0.4894000    
 H   -1.086300     -0.4170000      0.6522000    
 H   -2.660500      -2.505400       1.279500    
 H   -5.324800      -2.987100      0.9947000    


%chk=000041048-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041048

0 1
O 2.337792 -0.162514 -0.248932
O -4.812575 0.470791 0.717311
O -8.141332 -0.759852 1.236161
O -7.350468 1.394952 1.030020
N 4.031685 -3.489810 -0.261936
N 0.189860 1.495311 -0.029720
N -7.187335 0.110661 1.064411
C 2.921325 -2.506313 -0.245925
C 4.569306 -3.773202 1.097481
C 3.732439 -4.714659 -1.050533
C 3.486012 -1.085776 -0.376351
C 6.042558 -4.223355 1.083097
C 3.761875 -4.467872 -2.570694
C 2.585425 1.199321 -0.353525
C 1.422795 2.063895 -0.232109
C 1.619225 3.501461 -0.332142
C 3.855987 1.760691 -0.562559
C 2.926147 4.038623 -0.544624
C 0.451810 4.325145 -0.207996
C 4.017452 3.175699 -0.656583
C -0.897084 2.307199 0.082659
C -0.794686 3.741083 -0.003024
C -2.206005 1.684183 0.295824
C -2.383881 0.323598 0.384668
C -3.645758 -0.326210 0.590611
C -4.008928 -1.682351 0.702229
C -5.871067 -0.424266 0.905152
C -5.421475 -1.743884 0.902058
H 2.303494 -2.570756 0.678798
H 2.241786 -2.692166 -1.095715
H 4.491814 -2.842315 1.690656
H 3.945055 -4.535127 1.629295
H 4.500856 -5.468926 -0.802545
H 2.747385 -5.158084 -0.757322
H 3.975868 -0.956713 -1.360864
H 4.224906 -0.875130 0.423371
H 6.181386 -5.163656 0.520010
H 6.672648 -3.449640 0.610734
H 6.403460 -4.395680 2.114235
H 3.004663 -3.725406 -2.882796
H 4.753917 -4.091144 -2.874806
H 3.554423 -5.405704 -3.119033
H 4.737821 1.121452 -0.656947
H 3.058281 5.123752 -0.617803
H 0.556924 5.413721 -0.276989
H 5.022156 3.580435 -0.820269
H -1.697802 4.352473 0.093788
H -3.071804 2.352078 0.385025
H -1.500228 -0.318753 0.291282
H -3.319713 -2.522198 0.643662
H -6.047994 -2.622562 1.028806


