%chk=000057564.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057564

0 1
 O   0.9231000      0.7475000     -4.5800000E-02
 O  -4.3299999E-02  -1.194900      0.7389000    
 N   -3.829300      0.2824000     -0.5373000    
 C    2.195400      0.2886000      0.3641000    
 C   -4.990400     -0.5614000     -0.2940000    
 C   -4.692900      0.6173000      0.5861000    
 C    3.282800       1.277200     -2.2700001E-02
 C    2.610000     -0.9698000     -0.3818000    
 C    4.560000      0.4472000      2.2000000E-03
 C    4.127500      -1.000300     -0.2456000    
 C   -2.612200     -0.3709000     -7.1900003E-02
 C   -1.405200      0.5358000     -0.2941000    
 C  -0.1256000     -9.8700002E-02  0.2021000    
 H    2.207700      0.1299000       1.450500    
 H   -4.837400      -1.555300      0.1063000    
 H   -5.796000     -0.4678000      -1.010100    
 H   -5.298300       1.505800      0.4599000    
 H   -4.356600      0.4365000       1.598400    
 H    3.326500       2.132700      0.6587000    
 H    3.102000       1.678100      -1.028000    
 H    2.320300     -0.9092000      -1.438500    
 H    2.167600      -1.885500      2.0199999E-02
 H    5.046900      0.5256000      0.9811000    
 H    5.276400      0.7933000     -0.7496000    
 H    4.598300      -1.417000      -1.141800    
 H    4.424900      -1.626400      0.6034000    
 H   -2.458700      -1.290500     -0.6537000    
 H   -2.643300     -0.6873000      0.9804000    
 H   -1.542400       1.479700      0.2467000    
 H   -1.288800      0.7497000      -1.362900    


%chk=000057564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057564

0 1
O 1.011243 0.224118 0.195363
O -0.104600 -1.637211 1.059817
N -3.732235 -0.099360 -0.762282
C 2.299941 -0.246494 0.829232
C -5.119831 -0.137762 -0.175901
C -4.390731 1.189724 -0.328276
C 3.225747 0.995960 0.896445
C 3.002881 -1.249114 -0.111560
C 4.325246 0.783733 -0.195827
C 3.768419 -0.344553 -1.106009
C -2.642542 -0.597898 0.121322
C -1.307109 -0.007821 -0.361684
C -0.112617 -0.583463 0.378576
H 2.036205 -0.683506 1.806986
H -5.241576 -0.527359 0.844696
H -5.917230 -0.411331 -0.873510
H -4.658566 1.877209 -1.136443
H -4.030213 1.670036 0.592989
H 3.664198 1.108316 1.903679
H 2.622276 1.898072 0.696779
H 2.292519 -1.951686 -0.578191
H 3.719445 -1.847060 0.486094
H 5.270411 0.451085 0.274176
H 4.543464 1.710739 -0.754015
H 3.063280 0.075493 -1.847791
H 4.560528 -0.882095 -1.656301
H -2.610928 -1.698520 0.040895
H -2.803150 -0.347485 1.198187
H -1.295018 1.093519 -0.276168
H -1.190456 -0.232985 -1.440080