%chk=000001864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001864

0 1
 O   -1.929500      -2.311700     -0.8071000    
 O   -4.016500     -0.8809000      0.3124000    
 O    3.637500      -1.687800     -0.7211000    
 N  -0.9548000       2.921700      0.5059000    
 N    2.652400     -0.1865000      0.7618000    
 C   0.7718000       1.847900     -0.3847000    
 C  -0.3247000      0.9440000     -0.3119000    
 C    2.120100       1.554000     -0.9107000    
 C   -1.395100       1.642400      0.2507000    
 C   0.3534000       3.055500      0.1250000    
 C    3.107000       1.031400      0.1462000    
 C  -0.5098000     -0.4058000     -0.6716000    
 C   -2.646400       1.056300      0.4725000    
 C   -1.755900      -1.005200     -0.4556000    
 C   -2.806400     -0.2836000      0.1077000    
 C    2.957700      -1.449500      0.2737000    
 C    2.377400      -2.549800       1.121300    
 C   -1.638400      -3.292400      0.1856000    
 H    2.543500       2.461900      -1.359100    
 H    2.045400      0.8237000      -1.726700    
 H   0.8677000       3.998000      0.2524000    
 H    4.083900      0.8574000     -0.3182000    
 H    3.237000       1.768400      0.9463000    
 H   -1.516600       3.655200      0.9154000    
 H   0.2988000     -0.9767000      -1.119100    
 H   -3.461600       1.622400      0.9116000    
 H    2.083000     -0.1042000       1.599000    
 H   -3.974700      -1.790400     -3.0099999E-02
 H    2.144600      -3.409900      0.4873000    
 H    3.110200      -2.842800       1.877800    
 H    1.457400      -2.228400       1.617200    
 H   -1.917700      -4.272900     -0.2094000    
 H   -2.211400      -3.107900       1.099900    
 H  -0.5679000      -3.298600      0.4093000    


%chk=000001864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001864

0 1
O -2.331018 -2.319000 -0.206424
O -4.179206 -0.720122 0.814270
O 4.293458 -1.692636 0.258183
N -0.996319 3.063374 0.382488
N 2.528562 -0.263720 0.791628
C 0.708222 1.809180 -0.493403
C -0.431501 0.940792 -0.233959
C 2.055916 1.397188 -1.040261
C -1.483097 1.754306 0.313954
C 0.319989 3.094307 -0.106282
C 3.046570 0.893828 0.048554
C -0.662723 -0.452470 -0.435491
C -2.746465 1.231015 0.676327
C -1.914711 -0.970880 -0.079983
C -2.950063 -0.140211 0.475553
C 3.184809 -1.483582 0.842001
C 2.487701 -2.564644 1.668997
C -1.380924 -3.264826 -0.788872
H 2.534508 2.253058 -1.553807
H 1.932478 0.599083 -1.797278
H 0.879811 4.026905 -0.150645
H 3.997318 0.570031 -0.410036
H 3.262623 1.721279 0.753129
H -1.521092 3.869087 0.714183
H 0.117505 -1.085739 -0.867888
H -3.553715 1.839029 1.093740
H 1.621812 -0.163290 1.253086
H -4.133277 -1.687562 0.587808
H 2.472675 -3.503976 1.090857
H 3.077503 -2.755622 2.583189
H 1.457458 -2.297595 1.963892
H -1.899115 -4.234803 -0.803049
H -0.464902 -3.338109 -0.170521
H -1.109389 -2.968474 -1.820240


