%chk=000089614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089614

0 1
 O    3.775500     -0.4144000      -1.716000    
 O    2.216000       2.597400       1.682100    
 N    1.684200      0.3930000      1.9999999E-04
 N  -0.6523000      0.3934000     -0.4577000    
 N   -1.971000      -1.562500      3.5599999E-02
 C    2.864000     -0.2842000      0.4916000    
 C    1.796400       1.741200     -0.5116000    
 C   0.4298000     -0.2646000      7.4000000E-03
 C   -3.022200      0.3897000     -0.9207000    
 C   -1.790100     -0.3120000     -0.4094000    
 C   0.3914000      -1.554600      0.4960000    
 C    3.443000      -1.197400     -0.5770000    
 C    1.378500       2.752600      0.5440000    
 C   -3.740300       1.154300      0.1921000    
 C  -0.8483000      -2.160400      0.4855000    
 C   -4.964800       1.884100     -0.3368000    
 C  -0.9896000      -3.555600      0.9946000    
 H    2.698300     -0.8079000       1.439600    
 H    3.627700      0.4670000      0.7353000    
 H    1.203200       1.873700      -1.424300    
 H    2.835400       1.947200     -0.7969000    
 H   -2.734200       1.078000      -1.724800    
 H   -3.699100     -0.3494000      -1.366600    
 H    1.232500      -2.116000      0.8762000    
 H    2.746800      -1.974900     -0.9009000    
 H    4.352700      -1.687700     -0.2162000    
 H   0.3394000       2.612800      0.8570000    
 H    1.496000       3.770900      0.1607000    
 H   -4.045800      0.4629000      0.9867000    
 H   -3.058100       1.881200      0.6498000    
 H   -4.686400       2.610600      -1.106800    
 H   -5.683300       1.181200     -0.7704000    
 H   -5.464200       2.423400      0.4742000    
 H  -0.6904000      -3.609600       2.046200    
 H   -2.027100      -3.898000      0.9211000    
 H  -0.3666000      -4.239600      0.4096000    
 H    4.460800      0.2205000      -1.446300    
 H    1.934700       3.260200       2.335600    


%chk=000089614-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089614

0 1
O 4.300700 -0.275550 -1.513223
O 2.818875 2.825297 1.262178
N 1.656910 0.361488 -0.006296
N -0.657620 0.375249 -0.453144
N -2.084151 -1.544178 0.007473
C 2.881119 -0.233204 0.557156
C 1.744606 1.708808 -0.606728
C 0.447391 -0.314870 0.008534
C -3.065344 0.503724 -0.928494
C -1.857985 -0.267191 -0.441055
C 0.304746 -1.662192 0.471685
C 3.691548 -1.083963 -0.444763
C 1.608886 2.845558 0.410644
C -3.928201 1.031444 0.251387
C -0.984024 -2.233867 0.463202
C -5.185762 1.781475 -0.235618
C -1.219774 -3.650033 0.945969
H 2.616780 -0.858335 1.431411
H 3.501310 0.596776 0.941553
H 0.928253 1.806035 -1.340352
H 2.710608 1.794976 -1.134444
H -2.723428 1.349823 -1.550329
H -3.687323 -0.167493 -1.549587
H 1.155597 -2.256805 0.812087
H 3.037114 -1.794703 -0.974726
H 4.469041 -1.656546 0.108150
H 0.691500 2.699400 1.014246
H 1.538311 3.811288 -0.134295
H -4.219262 0.172348 0.885444
H -3.309027 1.701908 0.879716
H -4.914951 2.654573 -0.859032
H -5.828734 1.119447 -0.845905
H -5.788973 2.147520 0.615702
H -0.933378 -3.764632 2.008051
H -2.286331 -3.899679 0.837338
H -0.623116 -4.376393 0.363303
H 4.938035 0.362954 -1.102110
H 2.728555 3.496039 1.983573


