%chk=000049256.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049256

0 1
 O    1.895500      -1.183000      0.3293000    
 O  -0.8995000      0.5718000      -2.223700    
 O   -1.959600      -1.059800       2.050000    
 O   -4.073600       2.646100      0.3609000    
 N   -2.555100       1.547500     -0.9707000    
 N   -3.084100      0.7328000       1.164400    
 C   -1.760700     -0.6857000     -0.3376000    
 C  -0.3979000      -1.390200     -0.2685000    
 C   -2.795900      -1.640500     -0.9587000    
 C   -1.662000      0.5263000      -1.258500    
 C   -2.240300     -0.3642000       1.074300    
 C   0.6622000     -0.4777000      0.3125000    
 C   -2.988500      -2.866100     -9.4099998E-02
 C   -3.304500       1.698700      0.1898000    
 C    3.038100     -0.4339000      0.2179000    
 C    3.057700      0.8674000      0.7060000    
 C    4.165000     -0.9835000     -0.3823000    
 C    4.220300       1.629600      0.5928000    
 C    5.327600     -0.2212000     -0.4956000    
 C    5.355300       1.085300     -8.1000002E-03
 H  -7.8100003E-02  -1.730000      -1.262900    
 H  -0.4173000      -2.291200      0.3541000    
 H   -2.478700      -1.947700      -1.963600    
 H   -3.764600      -1.139500      -1.083200    
 H   0.7418000      0.4265000     -0.3005000    
 H   0.4197000     -0.1898000       1.340800    
 H   -2.081100      -3.456200      4.7200002E-02
 H   -3.433600      -2.644200      0.8790000    
 H   -3.700300      -3.533700     -0.5956000    
 H   -2.609300       2.306700      -1.644100    
 H   -3.528300      0.8913000       2.064600    
 H    2.207000       1.319100       1.206900    
 H    4.147500      -2.000600     -0.7633000    
 H    4.244600       2.644800      0.9784000    
 H    6.211500     -0.6451000     -0.9632000    
 H    6.261100       1.678300     -9.4899997E-02


%chk=000049256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049256

0 1
O 1.924439 -0.978487 -0.274486
O -1.550895 0.604649 -2.452014
O -1.793313 -1.026994 2.079179
O -4.273212 2.654996 0.710353
N -2.936166 1.564577 -0.869105
N -3.091717 0.735693 1.337893
C -1.871690 -0.650988 -0.356876
C -0.439914 -1.230229 -0.488643
C -2.944950 -1.718685 -0.860498
C -2.064439 0.547564 -1.306042
C -2.204651 -0.338431 1.110845
C 0.666373 -0.231589 -0.129242
C -2.904371 -3.081724 -0.143230
C -3.499119 1.713400 0.412293
C 3.128044 -0.294467 -0.026940
C 3.210769 1.064952 0.364038
C 4.305876 -1.064459 -0.195785
C 4.482934 1.644743 0.582014
C 5.564246 -0.472045 0.025624
C 5.662402 0.887035 0.415592
H -0.290798 -1.565805 -1.529408
H -0.348289 -2.100892 0.180680
H -2.755430 -1.854285 -1.942224
H -3.955145 -1.274483 -0.760559
H 0.667222 0.637020 -0.818620
H 0.563514 0.123443 0.917410
H -1.963094 -3.622092 -0.340263
H -3.015475 -2.982189 0.950028
H -3.733004 -3.710644 -0.516202
H -3.161420 2.305836 -1.541153
H -3.416991 0.874010 2.300671
H 2.310753 1.671871 0.499723
H 4.210187 -2.111859 -0.498273
H 4.545110 2.696547 0.883766
H 6.471581 -1.071973 -0.106867
H 6.642536 1.344385 0.586122


