%chk=000094927.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094927

0 1
 O   0.4039000       3.075000      9.9999997E-05
 O   -1.513700       2.006500     -7.9999998E-04
 O    4.577000      -1.492400     -5.0000002E-04
 O    4.554400      0.7028000     -2.3000001E-03
 N  -0.2609000       2.013300     -3.0000001E-04
 N    3.957800     -0.4010000     -5.0000002E-04
 C  -0.2558000     -0.4466000      1.1000000E-03
 C   -1.701500     -0.4997000      6.9999998E-04
 C   0.4322000      0.7692000     -5.0000002E-04
 C   0.4590000      -1.646600      2.7000001E-03
 C    1.827100      0.7845000     -3.9999999E-04
 C    2.537800     -0.4157000      1.0000000E-03
 C    1.853800      -1.631400      2.4999999E-03
 C   -2.399400     -0.5240000       1.208200    
 C   -2.397600     -0.5288000      -1.207800    
 C   -3.793200     -0.5772000       1.207100    
 C   -3.791500     -0.5819000      -1.208800    
 C   -4.489400     -0.6061000     -1.4000000E-03
 H  -5.6600001E-02  -2.604500      3.8999999E-03
 H    2.366000       1.729000     -1.6000000E-03
 H    2.374100      -2.585800      3.4000000E-03
 H   -1.872500     -0.5022000       2.159200    
 H   -1.869200     -0.5108000      -2.158100    
 H   -4.336700     -0.5959000       2.147200    
 H   -4.333400     -0.6042000      -2.149700    
 H   -5.574600     -0.6473000     -2.0999999E-03


%chk=000094927-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094927

0 1
O 0.666332 3.213697 -0.000119
O -1.409406 2.282710 -0.004573
O 4.622469 -1.616529 0.002796
O 4.680746 0.665629 0.001240
N -0.126909 2.194550 -0.002189
N 4.052060 -0.459065 0.001328
C -0.274760 -0.359129 -0.000136
C -1.774632 -0.438790 -0.000217
C 0.504435 0.834757 -0.000798
C 0.442741 -1.588316 0.001021
C 1.914950 0.817785 -0.000265
C 2.564257 -0.426055 0.000817
C 1.847777 -1.641527 0.001469
C -2.483066 -0.525115 1.224233
C -2.482716 -0.529241 -1.224576
C -3.887093 -0.678005 1.222008
C -3.886738 -0.682117 -1.222243
C -4.593482 -0.754559 -0.000091
H -0.135647 -2.517099 0.001614
H 2.481443 1.752052 -0.000725
H 2.391305 -2.589830 0.002335
H -1.940727 -0.460555 2.174143
H -1.940099 -0.467801 -2.174531
H -4.427032 -0.735875 2.173392
H -4.426407 -0.743158 -2.173582
H -5.682703 -0.870215 -0.000053


