%chk=000022565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022565

0 1
 O   -1.325100     -6.6399999E-02   2.025400    
 N   -2.953900     -0.8651000      0.2613000    
 N  -1.3400000E-02  -1.924000       1.884800    
 C   0.1305000     -0.2682000      3.9500002E-02
 C  -0.8177000     -0.9197000      -1.054900    
 C   -2.326800     -0.5578000      -1.021200    
 C   0.1242000       1.288000     -5.4800000E-02
 C    1.618200     -0.6969000     -0.1058000    
 C  -0.5099000     -0.7335000       1.388200    
 C   -3.069600      -1.307300      -2.131900    
 C  -1.6400000E-02   1.843600      -1.290900    
 C    2.505800     -0.2287000      0.8184000    
 C   0.2593000       1.990100       1.104900    
 C    1.943400      -1.514900      -1.148100    
 C   -2.896100      -2.302300      0.5296000    
 C   -4.340600     -0.3987000      0.2796000    
 C  -2.2200000E-02   3.235800      -1.375500    
 C    3.840300     -0.6134000      0.6884000    
 C   0.2532000       3.382500       1.020200    
 C    3.277900      -1.899600      -1.277900    
 C   0.1125000       4.005300     -0.2199000    
 C    4.226300      -1.448800     -0.3597000    
 H  -0.4640000     -0.6822000      -2.066100    
 H  -0.7171000      -2.011700      -1.002100    
 H   -2.422500      0.5164000      -1.216700    
 H   -2.985600      -2.396300      -2.062500    
 H   -2.623700      -1.037900      -3.098400    
 H   -4.124700      -1.035200      -2.219300    
 H  -8.8399999E-02   1.289200      -2.216300    
 H    2.240000      0.3854000       1.667700    
 H   0.4016000       1.554400       2.086100    
 H    1.258400      -1.897300      -1.891400    
 H   -1.928200      -2.783700      0.3925000    
 H   -3.626400      -2.876300     -5.3700000E-02
 H   -3.158500      -2.468500       1.582300    
 H   -4.718500     -0.4445000       1.308000    
 H   -5.027500     -0.9906000     -0.3338000    
 H   -4.411600      0.6525000     -2.1900000E-02
 H   0.6416000      -2.508300       1.376500    
 H  -0.3432000      -2.288700       2.772400    
 H  -0.1233000       3.721400      -2.341800    
 H    4.577500     -0.2706000       1.408600    
 H   0.3656000       3.982300       1.918800    
 H    3.579600      -2.550500      -2.093400    
 H   0.1115000       5.089300     -0.2862000    
 H    5.264900      -1.750200     -0.4596000    


%chk=000022565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022565

0 1
O -1.077477 0.110258 2.466938
N -3.208771 -1.779975 0.116696
N 0.616373 -1.444378 2.481552
C 0.195253 -0.230274 0.334538
C -0.888228 -1.063553 -0.463355
C -2.366178 -0.604211 -0.271479
C 0.102457 1.258348 -0.103231
C 1.629623 -0.741084 0.028143
C -0.132141 -0.471799 1.849883
C -2.895786 0.180188 -1.504688
C 0.550841 1.574577 -1.416282
C 2.738927 0.024015 0.486967
C -0.418470 2.307599 0.694209
C 1.897752 -1.955334 -0.654304
C -3.480892 -2.744415 -0.965456
C -4.427532 -1.410552 0.860425
C 0.482105 2.889351 -1.918562
C 4.063461 -0.404223 0.268730
C -0.479995 3.630391 0.192941
C 3.227716 -2.386545 -0.880024
C -0.035276 3.930878 -1.112243
C 4.316468 -1.615990 -0.418873
H -0.604167 -1.027761 -1.533164
H -0.830254 -2.115172 -0.125941
H -2.400879 0.072376 0.601466
H -2.834405 -0.424630 -2.429336
H -2.301272 1.097119 -1.661212
H -3.950609 0.480716 -1.359815
H 0.970093 0.781996 -2.047784
H 2.553697 0.970374 1.007972
H -0.789586 2.087452 1.697491
H 1.075539 -2.574313 -1.024659
H -2.540700 -3.018598 -1.477314
H -4.195517 -2.373043 -1.741584
H -3.910311 -3.667475 -0.532537
H -4.905657 -2.324805 1.259702
H -5.194677 -0.872122 0.247171
H -4.152113 -0.766606 1.714003
H 1.401985 -1.904815 2.024580
H 0.362923 -1.690300 3.438255
H 0.834723 3.101842 -2.934355
H 4.898474 0.205937 0.631012
H -0.884568 4.425170 0.830361
H 3.407722 -3.325049 -1.416691
H -0.088660 4.955825 -1.496415
H 5.345390 -1.948990 -0.594331


