%chk=000153461.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153461

0 1
 I    4.929700      -2.700500      0.8281000    
 O  -6.0100000E-02   3.066500      -1.037500    
 O   -4.927500      -1.881900      -1.579800    
 O   -2.468000      0.9837000       3.523600    
 O    2.688800       2.781900     -0.3086000    
 N   -2.065900     -0.2356000      6.6399999E-02
 N  -4.4399999E-02  0.7026000     -0.7916000    
 C   -1.408300      0.3504000      -1.103900    
 C   0.9571000     -0.2220000     -0.4410000    
 C   -3.464800     -0.5727000     -0.2131000    
 C   -1.998400      0.6941000       1.196100    
 C    2.163500      0.4322000     -0.1998000    
 C   0.4526000       1.994900     -0.7970000    
 C    1.919800       1.856900     -0.4085000    
 C   -3.558400      -1.571500      -1.355400    
 C   -2.569300      5.5199999E-02   2.452100    
 C   0.8697000      -1.596900     -0.3225000    
 C    3.318300     -0.2278000      0.1628000    
 C    2.026900      -2.293800      4.4700000E-02
 C    3.238600      -1.616000      0.2849000    
 H   -1.340200     -0.3514000      -1.940400    
 H   -1.938900       1.244400      -1.455200    
 H   -4.061600      0.3189000     -0.4475000    
 H   -3.953400      -1.060000      0.6355000    
 H   -2.525800       1.634000      0.9827000    
 H  -0.9682000      0.9774000       1.439600    
 H   -3.025700      -2.498600      -1.118300    
 H   -3.182700      -1.173000      -2.300600    
 H   -2.030100     -0.8570000       2.728700    
 H   -3.633000     -0.1763000       2.379400    
 H  -5.0000001E-02  -2.138700     -0.5103000    
 H    4.238200      0.3176000      0.3418000    
 H    1.970000      -3.376100      0.1393000    
 H   -4.959000      -2.531600      -2.302600    
 H   -1.523800       1.168800       3.664800    


%chk=000153461-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153461

0 1
I 4.641933 -3.271047 0.360883
O 0.117969 3.316539 -0.675358
O -4.493329 -2.419981 -1.511165
O -2.709905 0.839922 3.679219
O 3.035669 2.692625 -0.014441
N -2.215706 0.147945 -0.022468
N -0.010228 0.941408 -0.717090
C -1.429060 0.808843 -1.078825
C 0.895802 -0.133718 -0.494265
C -3.455201 -0.497548 -0.527019
C -2.397943 0.959750 1.207710
C 2.199178 0.367191 -0.204478
C 0.640515 2.184509 -0.559966
C 2.138591 1.843509 -0.218678
C -3.200806 -1.931811 -1.015473
C -2.383085 0.072059 2.470302
C 0.651750 -1.516613 -0.534964
C 3.282815 -0.497662 0.042678
C 1.742169 -2.390017 -0.291176
C 3.036801 -1.887643 -0.006170
H -1.514226 0.206142 -2.002467
H -1.771154 1.843733 -1.305316
H -3.931483 0.081243 -1.349866
H -4.193251 -0.542538 0.291940
H -3.345468 1.543877 1.189845
H -1.571698 1.693443 1.271755
H -2.823819 -2.545839 -0.170379
H -2.439950 -1.938183 -1.827749
H -1.402067 -0.439635 2.555476
H -3.172394 -0.696329 2.415470
H -0.346265 -1.917255 -0.720693
H 4.273336 -0.087506 0.260373
H 1.574187 -3.470764 -0.317493
H -4.412515 -3.364989 -1.792866
H -1.995463 1.504441 3.849611


