%chk=000037009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037009

0 1
 O  -0.6926000       2.135700       1.388800    
 O   -1.715000     -0.2871000       2.762000    
 N    4.110100       1.850000      0.9009000    
 N   -2.154600     -0.6896000      0.4778000    
 C    2.845900       1.216600      0.5049000    
 C    2.722400       1.157100      -1.023800    
 C   -1.969300       1.567300       1.170200    
 C    1.682900       2.004000       1.106200    
 C    3.918200      0.4425000      -1.647300    
 C    5.224500       1.058300      -1.157900    
 C    5.265600       1.129200      0.3666000    
 C   0.3432000       1.345500      0.8146000    
 C   -2.233100       1.453700     -0.3038000    
 C   -1.927400      9.2799999E-02   1.619400    
 C   -2.334300      0.1081000     -0.6604000    
 C   -3.043700       2.341900       1.919500    
 C   -2.197500      -2.132700      0.4754000    
 C   -2.370300       2.450200      -1.255400    
 C   -2.576100     -0.2847000      -1.965600    
 C   -2.614900       2.072100      -2.578000    
 C  -0.8443000      -2.734700      0.2296000    
 C   -2.717200      0.7157000      -2.929800    
 C  -0.4368000      -3.002500      -1.072100    
 C  -1.2100000E-02  -3.018700       1.306200    
 C   0.8203000      -3.562300      -1.300300    
 C    1.244900      -3.578300       1.078000    
 C    1.661200      -3.850100     -0.2254000    
 H    2.822000      0.1952000      0.9086000    
 H    2.645000       2.169600      -1.440700    
 H    1.827000      0.6091000      -1.333000    
 H    1.671500       3.035800      0.7299000    
 H    1.801600       2.089800       2.194700    
 H    3.891000     -0.6205000      -1.377300    
 H    3.862400      0.4988000      -2.740000    
 H    5.330900       2.067400      -1.576000    
 H    6.072100      0.4690000      -1.525400    
 H    4.173600       1.879800       1.918200    
 H    5.309800      0.1194000      0.7927000    
 H    6.179700       1.647200      0.6764000    
 H   0.3817000      0.3380000       1.239400    
 H   0.2090000       1.287000     -0.2657000    
 H   -2.827200       2.362200       2.993800    
 H   -4.036500       1.899200       1.782800    
 H   -3.082400       3.385700       1.587900    
 H   -2.932600      -2.491800     -0.2543000    
 H   -2.566600      -2.465400       1.454400    
 H   -2.289900       3.498300     -0.9885000    
 H   -2.685000      -1.321400      -2.255500    
 H   -2.728200       2.834500      -3.344100    
 H   -2.913800      0.4440000      -3.963600    
 H   -1.080500      -2.807800      -1.922100    
 H  -0.3242000      -2.812200       2.326000    
 H    1.142900      -3.778000      -2.314700    
 H    1.900000      -3.802100       1.914900    
 H    2.639900      -4.286200     -0.4031000    


%chk=000037009-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037009

0 1
O -0.577460 2.225192 1.308113
O -1.596131 -0.286173 2.844576
N 4.260828 2.594815 1.000720
N -2.217703 -0.775292 0.614888
C 3.145425 1.656517 0.721894
C 3.302863 1.119896 -0.722486
C -1.876102 1.553155 1.117174
C 1.806470 2.392601 0.952521
C 4.696271 0.480830 -0.935928
C 5.822326 1.467552 -0.547737
C 5.604018 1.982415 0.890667
C 0.586789 1.481451 0.785408
C -2.249387 1.340145 -0.346861
C -1.862796 0.082090 1.671741
C -2.446465 -0.044811 -0.587653
C -2.876393 2.407421 1.910763
C -2.335711 -2.231500 0.771137
C -2.409121 2.265950 -1.386039
C -2.814602 -0.534155 -1.853704
C -2.780749 1.795191 -2.673676
C -1.279037 -3.026535 0.005088
C -2.981870 0.412509 -2.896905
C -1.652059 -4.151849 -0.768673
C 0.090810 -2.671414 0.086555
C -0.674412 -4.913954 -1.449209
C 1.068377 -3.427419 -0.595147
C 0.689184 -4.552202 -1.365847
H 3.180659 0.769653 1.413546
H 3.168491 1.968874 -1.421754
H 2.510824 0.376200 -0.937897
H 1.738984 3.253333 0.261888
H 1.782540 2.797945 1.984715
H 4.779417 -0.429651 -0.305113
H 4.811109 0.153930 -1.987079
H 5.815628 2.332208 -1.239039
H 6.812758 0.978409 -0.624225
H 4.126600 3.085844 1.895305
H 5.740668 1.122878 1.597726
H 6.362379 2.746267 1.144119
H 0.719812 0.547500 1.374349
H 0.418179 1.216399 -0.278175
H -2.599994 2.386543 2.978091
H -3.905856 2.027604 1.794569
H -2.836410 3.448179 1.546442
H -3.349352 -2.552866 0.463262
H -2.237992 -2.414477 1.858974
H -2.241218 3.333431 -1.206343
H -2.948222 -1.603432 -2.041782
H -2.909755 2.503567 -3.498716
H -3.265593 0.061403 -3.895374
H -2.709936 -4.436944 -0.837659
H 0.389404 -1.804987 0.688421
H -0.976143 -5.783093 -2.044473
H 2.124643 -3.143592 -0.524167
H 1.448213 -5.138951 -1.894990


