%chk=000049977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049977

0 1
 O   -2.925600      0.2468000      0.2728000    
 O   -2.107500       2.396000      0.2680000    
 O  -4.1000001E-02  -1.824600       1.887500    
 O  -0.9897000      5.7799999E-02  -2.205600    
 N  -0.5203000     -0.7874000     -0.1348000    
 N  -0.7725000     -0.9956000      -1.596900    
 N  -0.2562000      -3.137600      4.5000002E-02
 C  -0.5522000      0.5512000      0.3992000    
 C   0.5297000       1.433700     -0.2406000    
 C    1.937500      0.8954000     -0.1188000    
 C   -1.935000       1.181800      0.3005000    
 C    2.703400       1.245600      0.9802000    
 C    2.432200      6.3299999E-02  -1.109000    
 C  -0.2590000      -1.907500      0.6752000    
 C    4.002000      0.7492000       1.092700    
 C    3.730900     -0.4331000     -0.9966000    
 C    4.515900     -9.0300001E-02  0.1042000    
 C   -4.260400      0.7579000      0.1996000    
 C   -5.232300     -0.4027000      0.1774000    
 H  -0.3477000      0.4997000       1.476600    
 H   0.3267000       1.678100      -1.289100    
 H   0.5052000       2.419500      0.2475000    
 H    2.311300       1.896300       1.756600    
 H    1.847700     -0.1945000      -1.985200    
 H    4.613000       1.015800       1.950200    
 H    4.133100      -1.082100      -1.769100    
 H   -4.458100       1.389500       1.072800    
 H   -4.373800       1.352800     -0.7135000    
 H    5.527400     -0.4759000      0.1912000    
 H   -6.264900     -4.7400001E-02  0.1210000    
 H   -5.034600      -1.053900     -0.6805000    
 H   -5.118100      -1.017900       1.076000    
 H  -7.4199997E-02  -3.983600      0.5752000    
 H  -0.4271000      -3.264100     -0.9458000    


%chk=000049977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049977

0 1
O -2.952970 0.289336 0.272801
O -2.142007 2.458329 -0.000484
O 0.042899 -1.613050 1.970660
O -1.205852 -0.230670 -2.231019
N -0.526673 -0.807377 -0.167918
N -0.840205 -1.188828 -1.464846
N -0.173006 -3.124940 0.194379
C -0.552868 0.594710 0.304825
C 0.543457 1.484393 -0.354575
C 1.945376 0.918653 -0.188337
C -1.944808 1.232554 0.146014
C 2.590174 0.929074 1.075695
C 2.634075 0.363184 -1.296515
C -0.191842 -1.880056 0.763488
C 3.889631 0.399518 1.228944
C 3.936424 -0.167701 -1.148043
C 4.568080 -0.151620 0.116224
C -4.355409 0.807245 0.161025
C -5.280711 -0.393422 0.319263
H -0.353456 0.506836 1.391386
H 0.298250 1.623285 -1.420110
H 0.454198 2.475677 0.125349
H 2.073756 1.354971 1.945307
H 2.150183 0.354369 -2.281095
H 4.373075 0.416511 2.212116
H 4.456406 -0.588445 -2.016205
H -4.503280 1.567983 0.948561
H -4.456887 1.299575 -0.822619
H 5.577998 -0.560342 0.233795
H -6.333123 -0.063426 0.247846
H -5.096526 -1.140121 -0.471654
H -5.134493 -0.878116 1.299568
H 0.062671 -3.916755 0.787118
H -0.386737 -3.239134 -0.797042


