%chk=000093156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093156

0 1
 O   -1.664300       2.689900      0.1677000    
 O   -4.049000      -2.281300      6.3299999E-02
 N    6.497300     -0.1976000      0.1547000    
 C   -1.473000      0.2950000      0.2157000    
 C   -2.234500       1.451300      0.1441000    
 C   -2.065900     -0.9584000      0.1898000    
 C  -5.2999998E-03  0.3728000      0.3221000    
 C    2.312400     -0.4462000     -9.9900000E-02
 C   -3.453700      -1.057300      8.9800000E-02
 C   0.8632000     -0.5323000     -0.1881000    
 C   -3.622200       1.352100      4.4100001E-02
 C   -4.231800      9.7800002E-02  1.7100001E-02
 C    2.905200      0.3615000      0.8703000    
 C    3.109300      -1.171500     -0.9857000    
 C    5.092100     -0.2811000      6.9300003E-02
 C    4.295000      0.4442000      0.9549000    
 C    4.499200      -1.089000     -0.9011000    
 C   -1.302200       3.259200      -1.088000    
 C   -5.471700      -2.308900     -4.0100001E-02
 H   -1.487900      -1.875700      0.2647000    
 H   0.3576000       1.258400      0.8357000    
 H   0.4874000      -1.388400     -0.7438000    
 H   -4.234500       2.248300     -1.2400000E-02
 H   -5.313500      9.3699999E-02 -6.1600000E-02
 H    2.328100      0.9269000       1.596000    
 H    2.665400      -1.805400      -1.749700    
 H    4.745700       1.073300       1.718400    
 H    5.109500      -1.658800      -1.597300    
 H   -2.191700       3.418100      -1.705900    
 H  -0.5886000       2.619600      -1.616800    
 H  -0.8301000       4.227700     -0.9012000    
 H    7.075700     -0.7228000     -0.4876000    
 H    6.927800      0.3884000      0.8575000    
 H   -5.774700      -3.361100     -4.7699999E-02
 H   -5.815200      -1.870700     -0.9833000    
 H   -5.947700      -1.845600      0.8307000    


%chk=000093156-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093156

0 1
O -1.711055 2.744424 0.468450
O -4.076377 -2.326979 -0.259459
N 6.618359 -0.283947 0.113018
C -1.490546 0.304400 0.106811
C -2.311987 1.469566 0.259830
C -2.152348 -0.940240 -0.064692
C -0.028609 0.438759 0.173037
C 2.348241 -0.420391 -0.092340
C -3.561297 -1.027918 -0.084051
C 0.887942 -0.518121 -0.185612
C -3.714766 1.378634 0.253746
C -4.359729 0.132752 0.083247
C 3.033489 0.701122 0.465954
C 3.153820 -1.493743 -0.574586
C 5.226077 -0.332673 0.043254
C 4.433318 0.749853 0.533585
C 4.556957 -1.460840 -0.513857
C -1.345157 3.439480 -0.780240
C -5.530886 -2.479602 -0.252533
H -1.583283 -1.870574 -0.154121
H 0.317395 1.407455 0.555600
H 0.516768 -1.467407 -0.600877
H -4.298899 2.294012 0.395592
H -5.452094 0.081294 0.090567
H 2.459748 1.546390 0.861979
H 2.660214 -2.373122 -1.007858
H 4.929123 1.625246 0.971865
H 5.142842 -2.306265 -0.895300
H -2.243959 3.635024 -1.398016
H -0.619706 2.845944 -1.370987
H -0.888241 4.393024 -0.471961
H 7.184568 -1.054878 -0.228595
H 7.091834 0.519183 0.516092
H -5.708540 -3.555636 -0.397319
H -6.002667 -1.910773 -1.078114
H -5.967149 -2.157354 0.713589


