%chk=000012029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012029

0 1
 O   -2.382800      -2.191100      3.0000001E-04
 O    2.382900      -2.190900     -1.6000000E-03
 O   -3.511700     -0.3083000     -3.0000001E-04
 O    3.511800     -0.3081000     -3.9999999E-04
 N   -2.428000     -0.9383000       0.000000    
 N    2.428100     -0.9381000     -1.9999999E-04
 C   -1.208100       1.188000     -9.9999997E-05
 C    1.207800       1.188200      7.9999998E-04
 C   -1.208000     -0.2069000      3.9999999E-04
 C    1.208000     -0.2066000      1.3000000E-03
 C  -1.9999999E-04   1.885600      3.0000001E-04
 C   1.9999999E-04 -0.9042000      1.2000001E-03
 C   -2.484600       1.965600     -1.5000000E-03
 C    2.484700       1.965200     -1.9999999E-04
 H  -3.0000001E-04   2.973000     -3.0000001E-04
 H   1.9999999E-04  -1.991700      1.3000000E-03
 H   -3.069500       1.795900      0.9085000    
 H   -2.273700       3.043100     -2.2000000E-03
 H   -3.068300       1.794500     -0.9120000    
 H    3.069600       1.794900      0.9097000    
 H    3.068300       1.794700     -0.9110000    
 H    2.273900       3.042700     -9.9999997E-05


%chk=000012029-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000012029

0 1
O -2.307979 -2.320962 -0.000039
O 2.308045 -2.320999 0.000139
O -3.598205 -0.448518 -0.000044
O 3.598260 -0.448576 0.000703
N -2.449451 -1.038387 0.000061
N 2.449480 -1.038412 0.000427
C -1.258372 1.226517 -0.000556
C 1.258392 1.226510 -0.000273
C -1.216773 -0.201639 -0.000120
C 1.216787 -0.201646 0.000102
C 0.000011 1.879377 -0.000620
C 0.000006 -0.905598 0.000170
C -2.512371 2.073014 -0.000955
C 2.512393 2.073006 -0.000342
H 0.000014 2.974743 -0.000950
H 0.000001 -1.998166 0.000449
H -3.146175 1.858131 0.876500
H -2.247584 3.143032 -0.001454
H -3.146196 1.857316 -0.878194
H 3.146098 1.857942 0.877133
H 3.146315 1.857489 -0.877562
H 2.247606 3.143024 -0.000675


