%chk=000051931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051931

0 1
 O   -1.296600      0.5165000      0.6424000    
 O   -1.092600       2.283500     -0.8224000    
 N    1.432400       2.812600      9.7000003E-03
 C   -2.279200     -0.1332000     -0.1600000    
 C   -2.941100      -1.233000      0.6778000    
 C   -1.620400     -0.7274000      -1.410400    
 C   0.7817000       1.642000      0.6048000    
 C   -3.574700     -0.6880000       1.951500    
 C   -2.616400      -1.420100      -2.331000    
 C  -0.6284000       1.553200      4.4000000E-02
 C    1.580200      0.3800000      0.3573000    
 C    1.546700     -0.6353000       1.297100    
 C    2.325700      0.2692000     -0.8034000    
 C    2.282300      -1.798400       1.069000    
 C    3.061100     -0.8939000      -1.031400    
 C    3.039300      -1.927600     -9.5100001E-02
 H   -3.044100      0.6004000     -0.4461000    
 H   -2.194500      -1.983700      0.9646000    
 H   -3.723100      -1.742100      0.1057000    
 H   -1.115300      5.1199999E-02  -1.992000    
 H  -0.8321000      -1.434000      -1.122000    
 H   0.7003000       1.833200       1.682200    
 H   -4.071300      -1.494900       2.499900    
 H   -2.824700     -0.2462000       2.614900    
 H   -4.323800      7.5700000E-02   1.720000    
 H   -2.126600      -1.687300      -3.273400    
 H   -2.998900      -2.346900      -1.894100    
 H   -3.461400     -0.7650000      -2.565100    
 H   0.9602000     -0.5445000       2.206700    
 H    2.347500       1.046000      -1.561600    
 H    2.345000       2.951800      0.4433000    
 H   0.8924000       3.649700      0.2278000    
 H    2.264700      -2.603600       1.797600    
 H    3.646800     -0.9972000      -1.940300    
 H    3.610800      -2.833800     -0.2734000    


%chk=000051931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051931

0 1
O -1.115296 0.094184 0.387402
O -0.977399 2.030517 -0.905598
N 1.327365 2.802310 0.307444
C -2.392481 -0.318577 -0.311471
C -3.156667 -1.166754 0.714023
C -2.006528 -1.051664 -1.611658
C 0.816844 1.504526 0.725072
C -3.572552 -0.380566 1.974713
C -3.227178 -1.383562 -2.499298
C -0.504762 1.257866 -0.036859
C 1.811207 0.348421 0.472251
C 1.815841 -0.797228 1.303903
C 2.729555 0.431204 -0.600675
C 2.725857 -1.851161 1.063459
C 3.635244 -0.624895 -0.846947
C 3.637562 -1.769501 -0.015493
H -2.943631 0.612015 -0.554234
H -2.525677 -2.032541 0.994712
H -4.057040 -1.573128 0.214540
H -1.313105 -0.404903 -2.180184
H -1.454588 -1.975788 -1.353698
H 0.537944 1.462101 1.804610
H -4.122268 -1.028343 2.681157
H -2.685302 0.019260 2.495835
H -4.229384 0.471381 1.716347
H -2.897554 -1.838463 -3.450306
H -3.914905 -2.097165 -2.010814
H -3.799683 -0.470021 -2.746769
H 1.103352 -0.867504 2.134821
H 2.728313 1.340534 -1.211265
H 1.982203 3.269533 0.929718
H 0.681744 3.387581 -0.223544
H 2.727222 -2.731519 1.716581
H 4.342341 -0.553688 -1.681692
H 4.345305 -2.585561 -0.201481


