%chk=000045694.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045694

0 1
 O   -1.733300     -0.4469000      2.7000001E-03
 O    2.746100      -1.241000     -1.2000001E-03
 O  -0.5539000       1.509700      1.4000000E-03
 N   0.5052000     -0.5827000      1.0000000E-03
 C   -4.115400     -0.6823000      4.4999998E-03
 C   -2.947100      0.2917000      3.5000001E-03
 C   -5.451500      3.8400002E-02 -9.7000003E-03
 C    1.856000     -0.2319000     -1.9999999E-04
 C  -0.5689000      0.2851000      1.7000000E-03
 C    2.451900      0.9871000     -3.0000001E-04
 C    3.842100      0.7213000     -1.4000000E-03
 C    3.968900     -0.6484000     -2.0999999E-03
 H   -4.041800      -1.346200     -0.8651000    
 H   -4.051800      -1.332100      0.8856000    
 H   -2.988500      0.9257000     -0.8901000    
 H   -2.987800      0.9268000      0.8962000    
 H   -5.550900      0.6630000     -0.9032000    
 H   -6.272800     -0.6850000     -8.2000000E-03
 H   -5.561300      0.6786000      0.8714000    
 H   0.3125000      -1.580300      1.0000000E-03
 H    1.982900       1.959900      5.0000002E-04
 H    4.650400       1.438100     -1.8000000E-03
 H    4.814300      -1.320900     -3.0000000E-03


%chk=000045694-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045694

0 1
O -1.742643 -0.489010 0.000202
O 2.771515 -1.254518 0.002230
O -0.499190 1.523353 -0.002305
N 0.517004 -0.608091 0.001039
C -4.159714 -0.696964 0.000680
C -3.000804 0.302083 -0.001331
C -5.522494 0.031607 -0.004214
C 1.851495 -0.194940 0.000675
C -0.560095 0.268582 -0.000529
C 2.502419 1.029470 -0.000878
C 3.922080 0.720828 -0.000319
C 4.059566 -0.653564 0.001603
H -4.074133 -1.352246 -0.886720
H -4.077122 -1.345716 0.893134
H -3.013034 0.950984 -0.898048
H -3.012783 0.954641 0.892726
H -5.635127 0.669529 -0.901191
H -6.354336 -0.695123 -0.001790
H -5.637250 0.677745 0.886606
H 0.318112 -1.610418 0.002456
H 2.019716 2.001687 -0.002277
H 4.736362 1.443242 -0.001217
H 4.895757 -1.345460 0.002669


