%chk=000018979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018979

0 1
 O    2.267300      0.2337000     -0.8694000    
 O   -1.668300      2.7999999E-03 -1.5300000E-02
 O   -3.538800      -3.609300      0.1369000    
 O   0.6353000       1.303200      0.3519000    
 N    5.539300      0.6484000      0.2166000    
 C    5.162200      0.1824000      -1.112200    
 C    4.261000       1.205500      -1.796100    
 C    6.356000     -0.3546000      0.9025000    
 C    6.261700       1.919000      0.1317000    
 C    2.994300       1.461100     -0.9907000    
 C    5.625200      -1.682900       1.002100    
 C    6.603100       2.449800       1.513700    
 C  -0.9355000      -1.153100     -3.9900001E-02
 C   -1.519400      -2.414700      9.7000003E-03
 C   0.4520000      -1.027200     -0.1174000    
 C   -3.749900      -1.238400      0.1127000    
 C   -3.046900     -8.8799998E-02  6.5099999E-02
 C   -2.984400      -2.518300      8.9900002E-02
 C    1.093300      0.2802000     -0.1703000    
 C  -0.7212000      -3.561600     -1.7200001E-02
 C    1.252200      -2.169400     -0.1452000    
 C   -3.686200       1.233900      8.7899998E-02
 C   0.6663000      -3.434500     -9.5299996E-02
 C   -5.243900      -1.373900      0.1768000    
 C   -3.925100       1.872700       1.305100    
 C   -4.054800       1.852100      -1.107300    
 C   -4.532300       3.128300       1.327100    
 C   -4.661800       3.107800      -1.085200    
 C   -4.900500       3.745800      0.1320000    
 H    6.046300      4.6000001E-03  -1.738600    
 H    4.604900     -0.7588000      -1.077100    
 H    4.771800       2.141700      -2.038800    
 H    3.968900      0.7765000      -2.764500    
 H    7.323900     -0.5037000      0.4076000    
 H    6.554700     -4.8700001E-02   1.934700    
 H    7.175900       1.831900     -0.4689000    
 H    5.645700       2.701500     -0.3193000    
 H    2.370700       2.184000      -1.529800    
 H    3.211800       1.866800      3.0000000E-03
 H    4.595600      -1.556600       1.354600    
 H    5.615200      -2.229300      5.4000001E-02
 H    6.138000      -2.328300       1.724500    
 H    5.735500       2.429900       2.182200    
 H    7.426600       1.901600       1.981600    
 H    6.929900       3.493100       1.435700    
 H   -1.158100      -4.555500      2.1500001E-02
 H    2.336500      -2.109400     -0.1908000    
 H    1.291400      -4.322600     -0.1136000    
 H   -5.536300      -1.908400       1.086900    
 H   -5.610300      -1.937200     -0.6881000    
 H   -5.765300     -0.4130000      0.1829000    
 H   -3.643200       1.404300       2.245000    
 H   -3.874900       1.367500      -2.064000    
 H   -4.718100       3.625200       2.274700    
 H   -4.948600       3.588800      -2.015800    
 H   -5.373200       4.723500      0.1490000    


%chk=000018979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018979

0 1
O 2.330620 0.186855 -1.117612
O -1.785177 -0.172445 -0.321893
O -3.625081 -3.879448 -0.203299
O 0.562960 1.241616 -0.033442
N 5.753186 0.773990 0.361152
C 5.352985 0.249931 -0.971572
C 4.434931 1.231483 -1.737439
C 5.962110 -0.300717 1.370512
C 6.901120 1.718430 0.275352
C 3.104532 1.466717 -1.026947
C 4.641262 -0.889304 1.902458
C 6.954925 2.714769 1.449479
C -1.004318 -1.309281 -0.473860
C -1.604631 -2.592527 -0.480446
C 0.400235 -1.134271 -0.657145
C -3.821196 -1.480019 -0.001397
C -3.176424 -0.252165 -0.084386
C -3.063123 -2.730937 -0.233575
C 1.049327 0.209885 -0.557610
C -0.789785 -3.731931 -0.700469
C 1.176356 -2.294797 -0.890555
C -3.709817 1.120554 0.074071
C 0.590829 -3.583908 -0.915110
C -5.281642 -1.653868 0.353004
C -2.812886 2.165901 0.448603
C -5.075275 1.443406 -0.167035
C -3.284546 3.483137 0.612393
C -5.536877 2.766362 -0.006917
C -4.648182 3.790544 0.393048
H 6.243433 0.007979 -1.602648
H 4.800965 -0.695466 -0.827267
H 4.938534 2.212408 -1.844956
H 4.250454 0.848451 -2.759662
H 6.606987 -1.120339 0.962728
H 6.516429 0.137740 2.220037
H 7.873557 1.168024 0.199579
H 6.796649 2.291322 -0.665157
H 2.502618 2.264878 -1.496360
H 3.264662 1.704240 0.039538
H 4.033797 -0.096597 2.373226
H 4.035784 -1.343368 1.096824
H 4.842663 -1.674811 2.654642
H 6.018163 3.297065 1.497825
H 7.086114 2.203627 2.420292
H 7.802239 3.414696 1.324261
H -1.280089 -4.710873 -0.694675
H 2.250810 -2.170018 -1.047814
H 1.219721 -4.461603 -1.093011
H -5.419015 -2.673999 0.748529
H -5.935470 -1.574196 -0.536661
H -5.620841 -0.917093 1.100029
H -1.752480 1.934975 0.590147
H -5.771810 0.677140 -0.513020
H -2.584509 4.272516 0.906822
H -6.589258 2.998167 -0.204060
H -5.011026 4.816575 0.520247


