%chk=000051701.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051701

0 1
 O   -3.069000      -1.330900      -1.062900    
 O    3.061200      -1.335700      -1.064500    
 O   4.8000002E-03   2.821700       2.416600    
 O   -2.989500      0.5660000      0.2619000    
 O    2.996400      0.5509000      0.2755000    
 N  -4.3000001E-03  -2.350100       1.881400    
 N   2.7000001E-03   1.566300       1.833200    
 N   7.0000002E-03   3.830800       1.468900    
 C    0.000000     -0.6337000     -0.3704000    
 C   -1.280500      -1.073900      0.3502000    
 C    1.275800      -1.077300      0.3523000    
 C   2.2000000E-03  0.8581000     -0.5446000    
 C   -1.232600      -1.909500       1.412900    
 C    1.224800      -1.921100       1.407400    
 C   3.5999999E-03   1.776700      0.5110000    
 C   3.7000000E-03   1.420000      -1.826900    
 C   -2.542500     -0.4937000     -0.1368000    
 C    2.541300     -0.5020000     -0.1316000    
 C   -2.424300      -2.435800       2.166300    
 C    2.416000      -2.459200       2.152800    
 C   6.2000002E-03   3.216200      0.2794000    
 C   6.5000001E-03   2.821600      -2.052300    
 C   7.7999998E-03   3.770500      -1.013800    
 C   -4.308200     -0.9005000      -1.635400    
 C    4.303600     -0.9100000      -1.634000    
 C   -4.769200      -1.930300      -2.644800    
 C    4.756300      -1.935100      -2.651700    
 H    0.000000      -1.124000      -1.354200    
 H  -5.5000000E-03  -2.981100       2.675100    
 H   2.9000000E-03  0.7700000      -2.701000    
 H   -2.374200      -2.126400       3.215800    
 H   -2.441900      -3.530300       2.129100    
 H   -3.375700      -2.078300       1.762300    
 H    2.372400      -2.155500       3.204200    
 H    3.368500      -2.106600       1.747100    
 H    2.425800      -3.553600       2.109600    
 H   7.6000001E-03   3.178300      -3.081300    
 H   9.9999998E-03   4.836000      -1.205300    
 H   -4.164900      6.6100001E-02  -2.131400    
 H   -5.059000     -0.7955000     -0.8442000    
 H    5.055300     -0.8172000     -0.8421000    
 H    4.167500      6.1600000E-02  -2.122100    
 H   -4.899200      -2.906800      -2.166800    
 H   -5.716300      -1.632300      -3.103000    
 H   -4.020000      -2.059500      -3.432800    
 H    4.005900      -2.052100      -3.440500    
 H    4.879000      -2.916400      -2.181600    
 H    5.705500      -1.640600      -3.107900    


%chk=000051701-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051701

0 1
O -2.289515 -1.306387 -1.430436
O 2.299268 -1.292210 -1.415299
O -0.026539 2.793159 2.554811
O -3.699442 -1.693310 0.377875
O 3.699661 -1.668982 0.402647
N -0.007908 -1.588950 2.735365
N -0.019541 1.436251 2.049644
N -0.024524 3.768509 1.492270
C -0.001028 -0.929891 -0.029316
C -1.278797 -1.346317 0.721525
C 1.274586 -1.337706 0.729934
C -0.004798 0.578686 -0.335431
C -1.245297 -1.570578 2.088347
C 1.233553 -1.561890 2.096674
C -0.013308 1.588973 0.694646
C 0.000244 1.057309 -1.645164
C -2.529759 -1.467882 -0.047751
C 2.531376 -1.451438 -0.030777
C -2.419165 -1.818895 3.006860
C 2.403122 -1.801266 3.023061
C -0.016433 3.012225 0.359636
C -0.002890 2.463837 -1.977656
C -0.011168 3.455047 -1.001776
C -3.490109 -1.427057 -2.304269
C 3.506310 -1.406151 -2.280987
C -3.016495 -1.209291 -3.738573
C 3.042095 -1.185701 -3.717971
H 0.003893 -1.429735 -1.009624
H -0.011103 -1.661476 3.753763
H 0.007091 0.323612 -2.457658
H -2.622306 -0.908202 3.604223
H -2.203828 -2.646414 3.708676
H -3.323409 -2.048768 2.428397
H 2.598076 -0.887542 3.618532
H 3.312059 -2.028165 2.450800
H 2.187808 -2.627525 3.726337
H 0.001406 2.749448 -3.035296
H -0.013628 4.521046 -1.241448
H -4.232972 -0.673720 -1.985026
H -3.935833 -2.427308 -2.154128
H 3.954155 -2.405486 -2.130873
H 4.244580 -0.651510 -1.954303
H -2.265152 -1.965122 -4.025899
H -3.873386 -1.290629 -4.432088
H -2.569548 -0.206875 -3.857509
H 2.594605 -0.183625 -3.837746
H 2.293749 -1.941930 -4.012044
H 3.903745 -1.264368 -4.405877


