%chk=000227169.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227169

0 1
 O   -5.289900     -8.9299999E-02 -0.4407000    
 O    3.757100       2.274700      0.4821000    
 N   -2.139000     -9.4200000E-02  0.9357000    
 N    2.608000     -0.9644000      0.5886000    
 C   -1.082600     -0.9533000      0.5979000    
 C    1.284300      -1.385000      0.4257000    
 C   -2.633400      0.7161000      4.7899999E-02
 C    3.230700     -0.3567000     -0.3800000    
 C   -3.797200       1.666200      0.2665000    
 C    4.648500      0.1822000     -0.3161000    
 C   0.2341000     -0.5305000      0.7618000    
 C   -1.356100      -2.224900      0.1002000    
 C    1.014100      -2.659500     -7.2999999E-02
 C  -0.3060000      -3.079300     -0.2358000    
 C   -2.028100      0.6886000      -1.335600    
 C    2.473800     -0.1292000      -1.667200    
 C   -5.148900       1.076800     -7.5800002E-02
 C    4.742200       1.623000      0.1387000    
 C   -6.329800       2.004200      4.1000001E-02
 C    6.118500       2.234500      0.1381000    
 H   -3.810400       1.943700       1.326100    
 H   -3.639500       2.571100     -0.3283000    
 H    5.210000     -0.4320000      0.3962000    
 H    5.114800      8.6199999E-02  -1.301400    
 H   0.4441000      0.4627000       1.152100    
 H   -2.381500      -2.560800     -2.9300001E-02
 H    1.825300      -3.333000     -0.3369000    
 H  -0.5164000      -4.071500     -0.6241000    
 H  -0.9750000      0.9793000      -1.309000    
 H   -2.147100     -0.2943000      -1.798500    
 H   -2.543700       1.408000      -1.979900    
 H    3.116500      0.3822000      -2.390800    
 H    1.605800      0.5138000      -1.500800    
 H    2.171200      -1.077100      -2.119100    
 H   -6.211700       2.837000     -0.6566000    
 H   -7.248800       1.464400     -0.2037000    
 H   -6.402700       2.377100       1.065600    
 H    6.776000       1.657100      0.7927000    
 H    6.066100       3.261900      0.5087000    
 H    6.514000       2.244800     -0.8805000    


%chk=000227169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227169

0 1
O -5.745480 -0.066845 -0.124135
O 4.339295 2.625925 -0.072059
N -1.947674 0.366778 0.187670
N 2.804663 -0.907539 0.171896
C -0.962934 -0.655133 0.074809
C 1.427646 -1.252884 0.071137
C -2.944753 0.526657 -0.642745
C 3.425290 -0.088030 -0.635987
C -3.948188 1.613097 -0.283012
C 4.872978 0.227672 -0.286248
C 0.402787 -0.271317 0.090308
C -1.305151 -2.036686 0.063484
C 1.078416 -2.632503 0.083041
C -0.279834 -3.008908 0.072095
C -3.201674 -0.241713 -1.926423
C 2.866548 0.566114 -1.886790
C -5.340073 1.095842 0.135163
C 5.130580 1.678439 0.171299
C -6.198975 2.091775 0.904055
C 6.418084 1.891215 0.957580
H -3.533344 2.225615 0.537657
H -4.112487 2.292451 -1.147306
H 5.206461 -0.462740 0.509150
H 5.531255 0.056222 -1.165517
H 0.655459 0.792292 0.150105
H -2.358789 -2.334695 0.090835
H 1.876138 -3.380751 0.115650
H -0.546218 -4.071911 0.082678
H -2.365267 -0.908845 -2.187850
H -4.124851 -0.839459 -1.809005
H -3.380219 0.464180 -2.759850
H 3.561990 0.415177 -2.734259
H 2.795896 1.657545 -1.722117
H 1.874304 0.171327 -2.155754
H -6.122861 3.107507 0.475387
H -7.249108 1.761163 0.917267
H -5.834419 2.152664 1.948269
H 6.279942 1.508908 1.987959
H 6.662075 2.963576 1.009533
H 7.259792 1.328420 0.514530


