%chk=000027857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027857

0 1
 O   0.1533000       1.238000      -1.493600    
 O  -0.1902000      -2.129500      0.5597000    
 O    5.884200     -0.7303000      9.8700002E-02
 O    4.672300      -2.051900       1.365100    
 N   -1.184600     -3.0700000E-02  0.7622000    
 N   -3.352500      -2.583800     -0.5948000    
 N    4.771600      -1.137400      0.5118000    
 C   -2.325600     -0.6106000       1.477900    
 C   -3.631600     -0.4870000      0.6955000    
 C   -3.608000      -1.151200     -0.6841000    
 C   -1.220100       1.383400      0.5094000    
 C  -0.1331000     -0.9044000      0.4243000    
 C    1.168200     -0.3727000     -2.9700000E-02
 C  -0.5476000       1.972600     -0.5696000    
 C    1.267200      0.6487000     -0.9662000    
 C   -1.999900       2.232800       1.317800    
 C    2.339200     -0.9732000      0.4522000    
 C  -0.6466000       3.345900     -0.8352000    
 C   -3.350800      -3.191300      -1.926800    
 C   -4.349500      -3.233400      0.2580000    
 C    2.513500       1.066500      -1.440000    
 C   -2.084800       3.606900       1.068300    
 C    3.588000     -0.5444000     -2.0999999E-03
 C   -1.407500       4.164000     -8.8000000E-03
 C    3.674900      0.4731000     -0.9501000    
 H   -2.408800     -0.1508000       2.468400    
 H   -2.137800      -1.667600       1.695600    
 H   -3.886900      0.5666000      0.5360000    
 H   -4.456600     -0.8667000       1.309000    
 H   -2.839200     -0.6733000      -1.303300    
 H   -4.569500     -0.9578000      -1.178600    
 H   -2.545800       1.870900       2.183600    
 H    2.258300      -1.771100       1.187500    
 H  -0.1340000       3.777600      -1.691000    
 H   -2.586000      -2.727200      -2.559500    
 H   -4.320600      -3.093100      -2.428100    
 H   -3.099800      -4.256100      -1.864400    
 H   -4.235200      -4.323500      0.2120000    
 H   -5.376300      -2.995700     -4.3200001E-02
 H   -4.216600      -2.982600       1.314600    
 H    2.583800       1.855200      -2.184100    
 H   -2.684800       4.238200       1.717600    
 H   -1.479600       5.228500     -0.2092000    
 H    4.629200      0.8284000      -1.330200    


%chk=000027857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027857

0 1
O -0.135918 1.015501 -1.416357
O -0.070397 -1.839509 1.737547
O 5.749340 -1.225264 -0.508246
O 4.776486 -1.943326 1.426957
N -1.289864 0.035962 1.096427
N -3.127160 -2.318705 -0.644405
N 4.734807 -1.345040 0.284522
C -2.507252 -0.573846 1.714311
C -3.771729 -0.386372 0.849954
C -3.607927 -0.921222 -0.590899
C -1.343910 1.417980 0.718097
C -0.126444 -0.750191 1.089934
C 1.078176 -0.335960 0.277655
C -0.801425 1.893666 -0.501393
C 1.039101 0.395523 -0.940538
C -2.021240 2.357605 1.540994
C 2.313240 -0.908558 0.665682
C -0.925299 3.236802 -0.900774
C -2.571317 -2.676706 -1.964792
C -4.119747 -3.303749 -0.174969
C 2.174299 0.503642 -1.777758
C -2.155375 3.705788 1.151772
C 3.447503 -0.754265 -0.149781
C -1.613088 4.152013 -0.075638
C 3.393102 -0.069847 -1.387105
H -2.664780 -0.170745 2.734046
H -2.276396 -1.645228 1.814400
H -4.065437 0.679103 0.791755
H -4.598784 -0.908038 1.369605
H -2.864983 -0.295279 -1.120145
H -4.582592 -0.791044 -1.131178
H -2.441373 2.024074 2.494574
H 2.361648 -1.506391 1.579627
H -0.489516 3.538660 -1.857903
H -1.776750 -1.960134 -2.239672
H -3.334884 -2.678683 -2.784460
H -2.121849 -3.684713 -1.916564
H -3.669500 -4.312110 -0.183382
H -5.045268 -3.330524 -0.806385
H -4.423140 -3.084639 0.863734
H 2.076766 1.053848 -2.717456
H -2.681519 4.406278 1.808408
H -1.718633 5.196395 -0.385158
H 4.292827 0.007250 -2.002441


