%chk=000100470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100470

0 1
 O    2.540700       1.168400      3.9999999E-04
 O   0.4628000      -2.572800     -6.0999999E-03
 O   -3.145000      0.4360000     -6.6999998E-03
 N  -0.9942000       1.312000      3.0000001E-04
 N   -1.361000      -1.083000      4.6000001E-03
 N    1.376100       1.929700      1.2000001E-03
 C   0.8555000     -0.2733000      6.9999998E-04
 C   0.3739000       1.041200      1.2000001E-03
 C   1.5200000E-02  -1.430300      9.9999997E-05
 C   -1.924100      0.2412000     -3.9999999E-04
 C    2.216800     -0.1517000      9.9999997E-05
 C   -1.467400       2.693000       0.000000    
 C   -2.287500      -2.210800      5.7000001E-03
 C    3.338100      -1.099500     -1.0000000E-03
 H   -2.559100       2.745600      1.6000000E-03
 H   -1.093300       3.197400     -0.8963000    
 H   -1.090700       3.198800      0.8943000    
 H   -3.330900      -1.898600      8.5199997E-02
 H   -2.044700      -2.869900      0.8455000    
 H   -2.149100      -2.774100     -0.9228000    
 H    3.297800      -1.743000      0.8833000    
 H    3.301700      -1.736100     -0.8904000    
 H    4.302600     -0.5820000      3.1999999E-03


%chk=000100470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100470

0 1
O 2.587204 1.214886 -0.000387
O 0.388613 -2.647998 -0.003680
O -3.157725 0.438556 0.002671
N -0.988941 1.304833 0.001599
N -1.368752 -1.089334 0.002410
N 1.332480 2.022867 0.000721
C 0.895488 -0.278329 0.000302
C 0.374615 1.059733 0.001040
C 0.017397 -1.438816 -0.000504
C -1.914773 0.230797 0.001971
C 2.278361 -0.144999 -0.000704
C -1.486037 2.697622 0.001630
C -2.327573 -2.221583 0.001422
C 3.411986 -1.111100 -0.002255
H -2.584342 2.662644 0.002763
H -1.121855 3.225504 -0.895952
H -1.120007 3.226026 0.898137
H -3.343423 -1.808753 0.061396
H -2.122217 -2.878890 0.861371
H -2.208064 -2.812118 -0.921815
H 3.356331 -1.772374 0.880091
H 3.360690 -1.764517 -0.890772
H 4.374744 -0.576456 0.002245


