%chk=000073255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073255

0 1
 O  -0.4131000      -2.428400      -1.194400    
 O   -2.443500      -2.539500     -9.8099999E-02
 O    5.644300      0.4028000      0.7936000    
 N   -2.342800     -3.1199999E-02   1.900600    
 N   0.7572000      0.2585000      -1.708200    
 C   -1.774100      0.3783000      0.6194000    
 C   -1.495200     -0.3835000     -0.7120000    
 C   -4.042900      0.1885000     -0.1879000    
 C   -2.388100       1.809400      0.4395000    
 C   -2.863000     -0.1265000      -1.403100    
 C   -3.856600       1.688600      1.7100001E-02
 C   -3.788200     -0.4620000       1.407900    
 C  -5.2600000E-02 -0.1152000     -0.6845000    
 C   -1.319100      -1.049200       2.323200    
 C   -1.617100       2.755100     -0.4987000    
 C   -1.533600      -1.907700     -0.6178000    
 C   0.7097000     -0.2911000      0.4936000    
 C   0.2185000     -0.6639000       1.956200    
 C    2.058800      9.2000002E-03  0.1095000    
 C   -2.199300       4.150100     -0.4586000    
 C    2.055900      0.3429000      -1.252500    
 C    3.286500      3.4200002E-02  0.8046000    
 C    3.222700      0.6906000      -1.943900    
 C  -0.3187000      -3.856200      -1.175500    
 C    4.458100      0.3804000      0.1229000    
 C    4.424500      0.7027000      -1.231100    
 C    5.611800      6.3000001E-02   2.178100    
 H  -0.8940000      0.9087000      0.9936000    
 H   -5.043100     -6.9799997E-02 -0.5465000    
 H   -2.388800       2.322300       1.417900    
 H   -3.229500     -0.9929000      -1.969300    
 H   -2.826600      0.7012000      -2.118500    
 H   -4.099600       2.223100     -0.9062000    
 H   -4.525400       2.064400      0.7997000    
 H   -4.520800     -1.8800000E-02   2.089600    
 H   -3.897700      -1.547000       1.395300    
 H   -1.537400      -2.047100       1.942100    
 H   -1.381100      -1.133300       3.414700    
 H   -1.611600       2.401000      -1.533100    
 H  -0.5703000       2.815800     -0.1780000    
 H   0.8313000      -1.519100       2.271700    
 H   0.5055000      0.1784000       2.602100    
 H   0.4622000      0.4381000      -2.658200    
 H   -3.205300       4.201800     -0.8829000    
 H   -2.237200       4.538400      0.5645000    
 H   -1.570600       4.830000      -1.044000    
 H    3.254400     -0.2245000       1.856200    
 H    3.199100      0.9448000      -2.998500    
 H  -0.3025000      -4.220000     -0.1437000    
 H   0.6174000      -4.141100      -1.663000    
 H   -1.152600      -4.298100      -1.729000    
 H    5.342900      0.9703000      -1.748400    
 H    5.286300     -0.9715000       2.332200    
 H    5.015000      0.7776000       2.755100    
 H    6.638900      0.1320000       2.551400    


%chk=000073255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073255

0 1
O -0.876920 -2.163214 -1.639373
O -1.404802 -2.630289 0.550455
O 5.903303 -0.163171 0.872574
N -2.345126 0.091358 1.853047
N 0.929006 0.241223 -1.655618
C -1.789586 0.863409 0.750055
C -1.433334 -0.168911 -0.455939
C -3.884128 -0.054023 -0.198377
C -2.749950 2.040733 0.390299
C -2.739345 -0.117955 -1.309282
C -4.144880 1.454579 0.006716
C -3.523080 -0.659041 1.233018
C 0.063143 0.072597 -0.580936
C -1.207644 -0.658010 2.521172
C -2.150859 3.066979 -0.606842
C -1.269209 -1.759612 -0.335023
C 0.797207 -0.126568 0.616650
C 0.278880 -0.260648 2.069481
C 2.195694 -0.069341 0.234374
C -2.936828 4.396832 -0.628808
C 2.252306 0.156489 -1.188410
C 3.408970 -0.176671 0.972852
C 3.477708 0.274566 -1.878114
C -0.543334 -3.596737 -1.781023
C 4.628307 -0.068978 0.273213
C 4.666097 0.153430 -1.137749
C 5.945365 -0.391554 2.314796
H -0.871355 1.362095 1.074560
H -4.785644 -0.583236 -0.559772
H -2.844495 2.566032 1.362734
H -2.841081 -0.995658 -1.965764
H -2.821299 0.774982 -1.951904
H -4.539937 1.910109 -0.921792
H -4.890160 1.626211 0.804535
H -4.419626 -0.512197 1.867195
H -3.329191 -1.745246 1.179343
H -1.348777 -1.743130 2.407970
H -1.228710 -0.424469 3.604869
H -2.112830 2.650773 -1.632425
H -1.099519 3.272891 -0.318324
H 0.921250 -1.008902 2.579980
H 0.508689 0.703929 2.573238
H 0.639075 0.244458 -2.630500
H -3.992382 4.238056 -0.918955
H -2.933692 4.871257 0.370680
H -2.496045 5.113790 -1.345592
H 3.380610 -0.338532 2.054230
H 3.515178 0.452444 -2.958386
H 0.314396 -3.852875 -1.136041
H -0.287470 -3.719506 -2.843407
H -1.404833 -4.227646 -1.503530
H 5.645631 0.227993 -1.619049
H 5.457796 -1.348911 2.587636
H 5.462053 0.436923 2.870418
H 7.014409 -0.434508 2.571546


