%chk=000002570.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002570

0 1
 O    1.245800       2.356600      0.3539000    
 O    1.176500      -2.220600     -0.5443000    
 O   -5.369100     -0.2956000       1.139400    
 O   -5.527700      0.3421000      -1.026900    
 N    1.701300       1.053700      0.4133000    
 N    1.616300      -1.073300     -0.2149000    
 C    3.102900      0.8062000      6.2600002E-02
 C    3.096200     -0.7867000     -4.1900001E-02
 C   0.8797000     -8.4399998E-02  5.7399999E-02
 C    4.022700       1.362800       1.151100    
 C    3.416700       1.497200      -1.277200    
 C    3.830100      -1.377700      -1.244400    
 C    3.491800      -1.515100       1.249900    
 C  -0.5728000     -5.1399998E-02  2.6699999E-02
 C   -1.248800      0.3040000      -1.147100    
 C   -1.313200     -0.3738000       1.170900    
 C   -2.642900      0.3365000      -1.176200    
 C   -2.707400     -0.3414000       1.141800    
 C   -3.372300      1.3600000E-02 -3.1900000E-02
 C   -4.825800      4.7400001E-02 -6.2300000E-02
 H    5.063000       1.071300      0.9722000    
 H    3.983800       2.458300       1.177200    
 H    3.733400       1.021700       2.150600    
 H    3.340300       2.587700      -1.191600    
 H    4.435700       1.274600      -1.610700    
 H    2.718200       1.192300      -2.064500    
 H    3.403400      -1.044100      -2.196100    
 H    4.890600      -1.105400      -1.223400    
 H    3.775500      -2.472800      -1.247500    
 H    4.549900      -1.357000       1.483000    
 H    2.894900      -1.180000       2.105600    
 H    3.335900      -2.596800       1.161500    
 H   0.9812000       2.442300     -0.5779000    
 H  -0.6898000      0.5579000      -2.044300    
 H  -0.8043000     -0.6518000       2.090700    
 H   -3.142700      0.6158000      -2.100100    
 H   -3.234200     -0.6001000       2.055900    
 H   -6.349500     -0.2721000       1.116300    


%chk=000002570-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002570

0 1
O 1.234259 2.216273 0.897529
O 1.319448 -1.878176 -1.554718
O -5.465624 0.592635 1.118519
O -5.627235 -0.765267 -0.758585
N 1.697244 0.815728 0.762043
N 1.675334 -0.866294 -0.774299
C 3.142864 0.731358 0.243042
C 3.138810 -0.749544 -0.294973
C 0.880501 -0.000454 -0.090507
C 4.112399 1.001109 1.401949
C 3.370849 1.758817 -0.896220
C 4.088751 -1.054508 -1.459286
C 3.296313 -1.810670 0.822704
C -0.576910 -0.023323 -0.061288
C -1.322776 -0.768048 -1.029271
C -1.283680 0.682093 0.964113
C -2.725814 -0.788312 -0.973833
C -2.685511 0.644476 1.016659
C -3.421241 -0.085431 0.044746
C -4.903057 -0.144473 0.058843
H 5.160291 0.881220 1.071694
H 3.977592 2.036957 1.758575
H 3.925665 0.325280 2.250623
H 3.280214 2.786284 -0.503690
H 4.390617 1.652848 -1.300770
H 2.659570 1.623853 -1.732216
H 3.912776 -0.403428 -2.330370
H 5.137600 -0.939616 -1.132405
H 3.932734 -2.096183 -1.785047
H 4.341066 -1.846904 1.175836
H 2.638385 -1.598771 1.682470
H 3.032323 -2.799581 0.409430
H 1.045032 2.565774 -0.025471
H -0.784415 -1.329392 -1.795650
H -0.723261 1.245351 1.713415
H -3.305711 -1.352576 -1.711439
H -3.224901 1.175031 1.805784
H -6.455198 0.507761 1.068864


