%chk=000066508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066508

0 1
 O    0.000000       1.453300     -6.0000003E-04
 O    0.000000      -3.890500      1.8000000E-03
 O   -4.900300       1.978100      2.6000000E-03
 O    4.900200       1.978300     -2.3000001E-03
 N   -2.578500       1.574100     -5.0000002E-04
 N    2.578400       1.574100      6.0000003E-04
 C   -1.273100     -0.5201000     -3.0000001E-04
 C    1.273100     -0.5201000      9.9999997E-05
 C   -1.273000      -1.916600     -9.9999997E-05
 C    1.273100      -1.916500       0.000000    
 C    0.000000      0.2292000       0.000000    
 C    0.000000      -2.665700      3.9999999E-04
 C   -2.486600      0.1782000     -6.9999998E-04
 C    2.486600      0.1782000      3.9999999E-04
 C   -2.486500      -2.614800     -6.0000003E-04
 C    2.486600      -2.614700     -3.0000001E-04
 C   -3.693500     -0.5216000     -8.9999998E-04
 C    3.693600     -0.5216000      3.0000001E-04
 C   -3.693500      -1.915100     -1.0000000E-03
 C    3.693600      -1.915000       0.000000    
 C   -3.734900       2.361200     -5.0000002E-04
 C    3.734900       2.361300      7.9999998E-04
 C   -3.406000       3.833000     -3.0000001E-04
 C    3.405800       3.833200      1.0000000E-03
 H   -2.513400      -3.701200     -5.0000002E-04
 H    2.513500      -3.701100     -5.0000002E-04
 H   -4.680000     -8.7300003E-02 -1.6000000E-03
 H    4.680100     -8.7099999E-02  1.0000000E-03
 H   -4.633600      -2.459700     -1.4000000E-03
 H    4.633700      -2.459600       0.000000    
 H   -1.697200       2.078800     -6.0000003E-04
 H    1.697200       2.078900      8.9999998E-04
 H   -2.845800       4.086400      0.9042000    
 H   -4.328800       4.419200     -2.2800000E-02
 H   -2.807900       4.079900     -0.8820000    
 H    2.845500       4.086800     -0.9034000    
 H    4.328600       4.419400      2.3600001E-02
 H    2.807700       4.079700      0.8829000    


%chk=000066508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066508

0 1
O -0.000585 1.529685 0.001051
O 0.000150 -3.989547 -0.000671
O -4.890882 2.061475 -0.002745
O 4.890832 2.061328 0.003781
N -2.579462 1.575500 -0.000472
N 2.579322 1.575872 0.000647
C -1.282810 -0.514200 -0.000423
C 1.282520 -0.513922 0.000206
C -1.279985 -1.947492 -0.000676
C 1.279898 -1.947240 0.000087
C -0.000253 0.218023 -0.000025
C 0.000027 -2.716301 -0.000356
C -2.558896 0.171013 -0.000619
C 2.558595 0.171401 0.000690
C -2.484279 -2.678206 -0.001116
C 2.484269 -2.677823 0.000457
C -3.765947 -0.591200 -0.001079
C 3.765707 -0.590712 0.001168
C -3.719669 -1.994905 -0.001306
C 3.719587 -1.994412 0.001024
C -3.684308 2.441699 -0.000261
C 3.684347 2.441834 0.000828
C -3.286950 3.914834 0.003122
C 3.287319 3.915059 -0.002849
H -2.425693 -3.770315 -0.001271
H 2.425796 -3.769939 0.000346
H -4.715199 -0.052678 -0.001394
H 4.714906 -0.052093 0.001683
H -4.657855 -2.559437 -0.001663
H 4.657831 -2.558848 0.001361
H -1.617616 1.981833 -0.000417
H 1.617529 1.982353 -0.000024
H -2.711754 4.166584 0.913141
H -4.198487 4.528458 -0.025403
H -2.658160 4.159768 -0.872468
H 2.712396 4.166824 -0.913036
H 4.198987 4.528483 0.025824
H 2.658373 4.160245 0.872559


