%chk=000226801.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226801

0 1
 O    3.373100      -1.389800      0.4128000    
 O   -2.745500      -2.990800      0.1159000    
 N    5.863000       1.241100     -0.2688000    
 C    5.285200     -0.1016000     -0.2247000    
 C    5.969000       1.796700       1.079700    
 C    7.175100       1.211800     -0.9142000    
 C    3.902200     -7.0299998E-02  0.4062000    
 C    6.510900       3.215700       1.047900    
 C    7.083900      0.6370000      -2.317600    
 C    2.009400      -1.509000      0.3475000    
 C    1.205100     -0.5118000      0.8871000    
 C    1.444600      -2.625100     -0.2590000    
 C  -0.7570000      -1.749300      0.2127000    
 C  -0.1829000     -0.6325000      0.8196000    
 C   5.6699999E-02  -2.745700     -0.3266000    
 C   -2.204300      -1.875000      0.1419000    
 C   -3.032900     -0.6233000      6.8999998E-02
 C   -5.262000      0.4754000     -0.1158000    
 C   -4.368900     -0.6931000     -2.4900001E-02
 C   -4.803300       1.714100      0.3026000    
 C   -6.543100      0.3130000     -0.6180000    
 C   -5.648700       2.820200      0.2168000    
 C   -7.388400       1.419300     -0.7038000    
 C   -6.941200       2.672900     -0.2863000    
 H    5.147800     -0.5208000      -1.227500    
 H    5.927600     -0.8066000      0.3200000    
 H    4.986100       1.896500       1.547500    
 H    6.589900       1.174100       1.735800    
 H    7.567600       2.226700      -1.035300    
 H    7.907400      0.6405000     -0.3297000    
 H    3.273300      0.6186000     -0.1738000    
 H    3.930500      0.2419000       1.453200    
 H    7.585800       3.248700      0.8449000    
 H    5.989500       3.833800      0.3089000    
 H    6.365400       3.686600       2.027000    
 H    6.969800     -0.4515000      -2.318700    
 H    6.263600       1.084500      -2.889500    
 H    8.011800      0.8506000      -2.860600    
 H    1.611000      0.3549000       1.399500    
 H    2.075100      -3.402400     -0.6816000    
 H  -0.7780000      0.1449000       1.289500    
 H  -0.3718000      -3.621200     -0.8075000    
 H   -2.510700      0.3235000      2.1900000E-02
 H   -4.867200      -1.659600     -3.0700000E-02
 H   -3.815000       1.872200      0.7226000    
 H   -6.905600     -0.6568000     -0.9484000    
 H   -5.303000       3.795600      0.5467000    
 H   -8.394900       1.304800      -1.095600    
 H   -7.599900       3.533900     -0.3519000    


%chk=000226801-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226801

0 1
O 3.395316 -1.271146 -0.026653
O -2.819825 -2.827146 -0.022735
N 6.385170 0.967044 0.018431
C 5.607945 -0.295627 -0.032302
C 6.590107 1.458354 1.409231
C 7.635609 0.929061 -0.786020
C 4.108396 0.022709 -0.091159
C 6.791454 2.983469 1.487502
C 7.373789 1.007572 -2.301842
C 2.000647 -1.258063 -0.043615
C 1.208990 -0.083159 -0.123053
C 1.374669 -2.532429 0.026837
C -0.840677 -1.456756 -0.046957
C -0.196685 -0.193126 -0.122006
C -0.021552 -2.622916 0.023580
C -2.327530 -1.646389 -0.040325
C -3.218984 -0.454201 -0.047030
C -5.602045 0.449252 -0.043307
C -4.580698 -0.605541 -0.046809
C -5.291617 1.841863 -0.034412
C -6.975485 0.067466 -0.047272
C -6.314917 2.808450 -0.029820
C -8.001345 1.035117 -0.042734
C -7.675395 2.411125 -0.033948
H 5.881359 -0.868535 -0.935396
H 5.808614 -0.958118 0.840927
H 5.690237 1.192092 1.995422
H 7.449368 0.936253 1.901319
H 8.249692 1.798916 -0.490662
H 8.243308 0.018524 -0.552685
H 3.864964 0.547795 -1.034704
H 3.803729 0.659058 0.764094
H 7.696249 3.310108 0.943661
H 5.924137 3.504899 1.046366
H 6.901960 3.304088 2.540213
H 6.767660 0.155621 -2.660848
H 6.832425 1.938020 -2.546382
H 8.328684 0.994974 -2.859722
H 1.672049 0.905480 -0.187727
H 2.007306 -3.423329 0.084390
H -0.781581 0.729442 -0.187970
H -0.525094 -3.593533 0.076218
H -2.768111 0.543113 -0.043833
H -4.942762 -1.644813 -0.047217
H -4.245750 2.168277 -0.030136
H -7.229614 -0.999497 -0.053855
H -6.058601 3.873785 -0.022537
H -9.050328 0.719424 -0.045761
H -8.469132 3.166277 -0.030056


