%chk=000022900.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022900

0 1
 O   0.5744000      0.4017000      -2.592200    
 O  -0.9291000       1.995900      -2.024600    
 N    1.961600      -3.468800      0.1512000    
 N    4.933400       1.672500     -0.2546000    
 C  -5.3100001E-02  0.5372000     -0.2544000    
 C   0.2463000     -0.9993000     -0.2191000    
 C    1.136500       1.351700      0.3584000    
 C   -1.403400      0.8030000      0.4569000    
 C   0.7646000      -1.530900       1.129100    
 C    2.515000       1.098200     -0.2797000    
 C  -0.2047000       1.061200      -1.701200    
 C   -2.608500      0.2457000     -1.1000000E-03
 C   0.9668000      -3.049200       1.130800    
 C    3.646600       1.877000      0.3994000    
 C   -1.382300       1.626100       1.583200    
 C   -3.809000      0.5273000      0.6936000    
 C   -2.562800       1.902700       2.266400    
 C   -2.648600     -0.5847000      -1.132900    
 C   -3.769100       1.357500       1.825600    
 C   -5.014100     -2.9899999E-02  0.2359000    
 C   -3.854900      -1.129500      -1.573700    
 C    1.837700      -4.900500     -0.1289000    
 C    3.312600      -3.159200      0.6227000    
 C    5.820700       2.812100     -1.5000000E-02
 C    5.559200      0.4349000      0.2146000    
 C   -5.035500     -0.8527000     -0.8907000    
 H  -0.5949000      -1.635700     -0.4861000    
 H    1.008600      -1.234000     -0.9716000    
 H    1.242900       1.138800       1.428900    
 H   0.9312000       2.428000      0.2670000    
 H    1.687400      -1.034600       1.437600    
 H   2.5000000E-02  -1.297100       1.905200    
 H    2.750800      3.2000002E-02 -0.2639000    
 H    2.489200       1.399100      -1.333100    
 H  -5.1000002E-03  -3.505300      0.8988000    
 H    1.229500      -3.389100       2.141200    
 H    3.692300       1.636700       1.469900    
 H    3.367600       2.938100      0.3411000    
 H  -0.4912000       2.091400       1.984600    
 H   -2.547400       2.544300       3.142800    
 H   -1.803800     -0.8048000      -1.771800    
 H   -4.679700       1.587500       2.374900    
 H   0.4744000      0.7580000      -3.500500    
 H   -5.949100      0.1736000      0.7538000    
 H   -3.876200      -1.757900      -2.459600    
 H   0.8489000      -5.128700     -0.5425000    
 H    1.987500      -5.511400      0.7687000    
 H    2.569400      -5.209900     -0.8836000    
 H    3.455500      -2.087000      0.7750000    
 H    4.053500      -3.459100     -0.1274000    
 H    3.552200      -3.674700       1.560100    
 H    6.780800       2.666000     -0.5226000    
 H    6.014500       2.966600       1.052700    
 H    5.389500       3.731700     -0.4263000    
 H    4.950000     -0.4368000     -3.9400000E-02
 H    5.731200      0.4380000       1.297100    
 H    6.524700      0.2842000     -0.2820000    
 H   -5.974900      -1.274200      -1.236500    


%chk=000022900-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022900

0 1
O 0.195638 0.128424 -2.756146
O -0.454743 2.210571 -1.992064
N 2.289061 -3.194806 0.577773
N 4.948133 1.668149 -0.451708
C -0.061720 0.421131 -0.314734
C 0.196387 -1.124686 -0.329509
C 1.177393 1.176549 0.303206
C -1.375094 0.738807 0.458102
C 0.248173 -1.779139 1.068658
C 2.508653 1.005138 -0.463649
C -0.160712 1.024625 -1.730238
C -2.672571 0.327248 -0.055725
C 0.865691 -3.194540 1.006605
C 3.665408 1.694194 0.290093
C -1.328432 1.378386 1.703753
C -3.861901 0.575780 0.743059
C -2.499674 1.623666 2.483191
C -2.861218 -0.314069 -1.329914
C -3.747630 1.225496 2.014776
C -5.149725 0.175464 0.253526
C -4.127916 -0.689966 -1.782311
C 2.726691 -4.518078 0.088230
C 3.205310 -2.667164 1.609029
C 5.937595 2.599046 0.128392
C 5.506137 0.310056 -0.608349
C -5.288539 -0.449179 -0.985388
H -0.592020 -1.625952 -0.918037
H 1.145250 -1.333857 -0.850635
H 1.326039 0.817350 1.339564
H 0.928040 2.253352 0.359880
H 0.824482 -1.157556 1.779838
H -0.770826 -1.858921 1.493672
H 2.731849 -0.068987 -0.592995
H 2.445977 1.453047 -1.473212
H 0.298103 -3.797190 0.270596
H 0.742126 -3.697257 2.001166
H 3.770291 1.225051 1.308172
H 3.399841 2.757155 0.454619
H -0.372797 1.713881 2.112359
H -2.403011 2.128585 3.450554
H -2.004560 -0.513311 -1.977787
H -4.654979 1.406427 2.603199
H 0.170723 0.622877 -3.621437
H -6.029679 0.376067 0.876803
H -4.232928 -1.172698 -2.760328
H 2.075632 -4.841351 -0.743358
H 2.705164 -5.315037 0.875413
H 3.761283 -4.449955 -0.294650
H 2.925828 -1.635149 1.882635
H 4.235400 -2.640338 1.209793
H 3.211241 -3.283344 2.545194
H 6.844684 2.618460 -0.502340
H 6.249568 2.327392 1.170293
H 5.517808 3.620540 0.153282
H 4.805684 -0.334328 -1.164848
H 5.730411 -0.187064 0.372705
H 6.446247 0.364102 -1.185918
H -6.276669 -0.749397 -1.350647


