%chk=000076904.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076904

0 1
 O   -2.400500       0.000000      3.0000001E-04
 N   -1.123500       0.000000     -3.0000001E-04
 C  -0.4222000       1.190300       0.000000    
 C  -0.4221000      -1.190300     -9.9999997E-05
 C    1.664700       0.000000      9.9999997E-05
 C   0.9688000       1.203800       0.000000    
 C   0.9688000      -1.203900      9.9999997E-05
 C   -1.195000       2.464600       0.000000    
 C   -1.195000      -2.464600       0.000000    
 C    3.156000       0.000000       0.000000    
 H    1.508700       2.147100      1.9000000E-03
 H    1.508700      -2.147100      2.0999999E-03
 H   -1.827400       2.526100     -0.8914000    
 H   -1.826100       2.526800      0.8924000    
 H  -0.5359000       3.339100     -8.9999998E-04
 H   -1.825300      -2.527300      0.8928000    
 H   -1.828200      -2.525700     -0.8910000    
 H  -0.5358000      -3.339000     -1.9000000E-03
 H    3.551500     -0.8803000     -0.5182000    
 H    3.551600      0.8803000     -0.5182000    
 H    3.531700       0.000000       1.028000    


%chk=000076904-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076904

0 1
O -2.436852 -0.000018 0.016940
N -1.095368 -0.000008 0.007136
C -0.397981 1.217772 -0.001127
C -0.397970 -1.217790 -0.001152
C 1.750506 0.000004 -0.016857
C 1.005752 1.206582 -0.013418
C 1.005759 -1.206583 -0.013440
C -1.255414 2.449144 0.000423
C -1.255401 -2.449161 0.000378
C 3.265856 0.000002 0.004472
H 1.520993 2.173321 -0.021568
H 1.521015 -2.173315 -0.021617
H -1.931950 2.453060 -0.874112
H -1.917515 2.460957 0.885873
H -0.632267 3.358030 -0.008495
H -1.917096 -2.461301 0.886134
H -1.932337 -2.452753 -0.873842
H -0.632258 -3.358044 -0.009110
H 3.677372 -0.893655 -0.497109
H 3.677374 0.893726 -0.496988
H 3.651283 -0.000070 1.043179


