%chk=000022654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022654

0 1
 O    5.114900       1.564600      0.5224000    
 O    3.090600       2.769500      1.7000001E-02
 O   -3.334600     -0.3906000       2.388900    
 O   -3.351800      0.9482000      -2.209000    
 O   -4.602900      0.8446000      0.2591000    
 N   0.5393000      -2.692200     -0.7651000    
 C    2.908900      -1.335800      7.1300000E-02
 C    1.716100     -0.6258000     -0.1919000    
 C    2.857400      -2.835600      8.6999997E-02
 C   0.4925000      -1.444200     -0.4263000    
 C    1.857000      -3.303400     -0.9615000    
 C    4.097100     -0.6456000      0.3393000    
 C    1.711200      0.7731000     -0.2407000    
 C    4.060400      0.7330000      0.3004000    
 C    2.903600       1.420800      1.3700000E-02
 C  -0.8497000     -0.8420000     -0.2458000    
 C   -1.478300     -0.2235000      -1.321500    
 C   -1.470000     -0.8996000      0.9980000    
 C    4.493100       2.853000      0.3412000    
 C   -2.733100     -0.3324000       1.167800    
 C   -2.741200      0.3438000      -1.151600    
 C   -3.368800      0.2892000      9.3000002E-02
 C   -3.079900      0.6863000       3.288700    
 C   -3.103000       2.340600      -2.391500    
 C   -5.728600      3.8000001E-03  1.7200001E-02
 H    3.841900      -3.263000     -0.1338000    
 H    2.556000      -3.170000       1.086700    
 H    2.210800      -3.078200      -1.975400    
 H    1.750100      -4.391600     -0.8943000    
 H    5.017900      -1.173700      0.5615000    
 H   0.8185000       1.347000     -0.4592000    
 H  -0.9922000     -0.1809000      -2.293100    
 H  -0.9765000      -1.383900       1.837100    
 H    5.009600       3.381200     -0.4685000    
 H    4.605800       3.430300       1.266100    
 H   -3.421600       1.634500       2.861800    
 H   -2.012600      0.7436000       3.525400    
 H   -3.633700      0.4990000       4.212700    
 H   -3.443400       2.910400      -1.521200    
 H   -3.661500       2.676200      -3.269600    
 H   -2.037000       2.520000      -2.564700    
 H   -5.732100     -0.3468000      -1.019700    
 H   -6.636100      0.5885000      0.1910000    
 H   -5.726300     -0.8498000      0.7022000    


%chk=000022654-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022654

0 1
O 5.455466 1.016299 1.393528
O 3.552835 2.474290 1.255106
O -2.505224 0.820051 2.461246
O -3.955143 -0.136979 -2.177660
O -4.591274 0.848288 0.460036
N 0.669587 -2.196650 -1.611355
C 3.065575 -1.463603 -0.121078
C 1.914654 -0.614664 -0.170437
C 2.912537 -2.870255 -0.675675
C 0.661769 -1.174912 -0.773198
C 1.984900 -2.823427 -1.909551
C 4.295821 -0.996915 0.409020
C 1.998286 0.741364 0.275330
C 4.341048 0.323155 0.865200
C 3.218582 1.174251 0.787522
C -0.676339 -0.576887 -0.457840
C -1.685804 -0.577845 -1.453306
C -0.974319 -0.054931 0.826472
C 4.924593 2.346449 1.808467
C -2.266630 0.429429 1.129581
C -2.966738 -0.075398 -1.166014
C -3.287009 0.402791 0.138553
C -3.080416 2.167519 2.667394
C -4.485350 1.176538 -2.609582
C -5.600495 -0.241215 0.492448
H 3.893995 -3.304096 -0.938709
H 2.453533 -3.531970 0.088583
H 2.472095 -2.248708 -2.728170
H 1.789132 -3.839530 -2.293607
H 5.177280 -1.642464 0.450585
H 1.143550 1.416207 0.199263
H -1.472844 -0.984900 -2.444834
H -0.233053 -0.056682 1.630398
H 5.562220 3.134322 1.378376
H 4.876585 2.380819 2.912849
H -4.047720 2.266039 2.147689
H -2.373099 2.941040 2.309619
H -3.211892 2.258404 3.756461
H -4.932193 1.722205 -1.759115
H -5.251045 0.947369 -3.366403
H -3.677126 1.780811 -3.064034
H -5.658481 -0.740612 -0.490968
H -6.555310 0.250314 0.734225
H -5.338738 -0.972712 1.278681


