%chk=000149049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149049

0 1
 I    4.689700       2.893900     -0.4912000    
 O   -4.380400       1.001000      -1.082600    
 O  -0.1232000      -3.274700      0.1583000    
 O    2.498700      -2.714400     -0.8321000    
 N   -2.129200      0.2182000      0.4736000    
 N  -8.3700001E-02 -0.9544000      0.6715000    
 C   -1.379300     -0.7488000       1.272400    
 C   -2.327100     -0.2775000     -0.8955000    
 C   -3.428000      0.5127000       1.094900    
 C   -3.121600      0.7428000      -1.705600    
 C   -4.197400       1.513700      0.2377000    
 C   0.8798000      5.5199999E-02  0.4899000    
 C    2.022300     -0.4628000     -0.1168000    
 C   0.3763000      -2.171100      0.1970000    
 C    1.775500      -1.885400     -0.3356000    
 C   0.8108000       1.394900      0.8253000    
 C    3.129100      0.3030000     -0.4152000    
 C    1.920300       2.197300      0.5341000    
 C    3.067500       1.656500     -8.0100000E-02
 H   -1.213700     -0.3733000       2.289400    
 H   -1.904200      -1.709000       1.349900    
 H   -2.870800      -1.231300     -0.8796000    
 H   -1.378000     -0.4377000      -1.417300    
 H   -3.282900      0.9379000       2.094600    
 H   -4.017300     -0.4077000       1.198600    
 H   -2.570700       1.684100      -1.822900    
 H   -3.321800      0.3493000      -2.707400    
 H   -5.189100       1.687700      0.6674000    
 H   -3.683600       2.481400      0.1866000    
 H  -5.5599999E-02   1.831100       1.308400    
 H    3.999700     -0.1378000     -0.8880000    
 H    1.878000       3.252500      0.7960000    


%chk=000149049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149049

0 1
I 4.787848 3.070643 -0.240534
O -4.503124 1.159828 -1.018190
O -0.104701 -3.324416 0.097021
O 2.758993 -2.749636 -0.808170
N -2.201961 0.092543 0.372566
N -0.037721 -0.997447 0.584465
C -1.381049 -0.847986 1.155614
C -2.605419 -0.441000 -0.956606
C -3.380045 0.601309 1.123562
C -3.329451 0.655710 -1.752696
C -4.083985 1.685787 0.289217
C 0.922175 0.045612 0.459447
C 2.140533 -0.462676 -0.078583
C 0.488507 -2.222505 0.121487
C 1.962278 -1.906904 -0.336644
C 0.790710 1.404806 0.788600
C 3.254909 0.372461 -0.289254
C 1.913902 2.246388 0.584037
C 3.126057 1.736560 0.053431
H -1.300711 -0.452870 2.187093
H -1.801461 -1.879102 1.203384
H -3.276170 -1.327159 -0.846387
H -1.702822 -0.762000 -1.507766
H -3.041181 1.034591 2.084727
H -4.110850 -0.213101 1.349630
H -2.628340 1.492849 -1.958520
H -3.724195 0.260270 -2.702439
H -5.009238 2.026632 0.781867
H -3.396096 2.547451 0.145796
H -0.152124 1.812333 1.159052
H 4.179338 -0.040342 -0.703253
H 1.835496 3.308672 0.833747


