%chk=000027583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027583

0 1
 O    1.499800      -5.750700      7.8400001E-02
 O  -0.7301000     -0.7734000     -0.4415000    
 O   -2.861000      -1.587900     -0.1266000    
 O  -0.4225000       1.848000      0.2341000    
 O  -4.5600001E-02   3.098000       2.130100    
 O    5.614800       3.049100     -0.8288000    
 N    2.253800      -3.163700      0.5931000    
 C    1.102200      -4.700500     -0.8085000    
 C   0.5364000      -4.807400      0.5574000    
 C    1.927300      -3.436900     -0.8253000    
 C    1.039500      -3.604400       1.317300    
 C    1.046100      -2.238400      -1.238000    
 C   5.8800001E-02  -2.424600       1.144400    
 C  -0.2080000      -2.093300     -0.3426000    
 C    3.486600      -3.786000       1.055300    
 C   -2.089700     -0.6558000     -0.3144000    
 C   -2.497400      0.8087000     -0.4479000    
 C   -1.783100       1.660300      0.6114000    
 C   -4.009000      0.9620000     -0.3895000    
 C   -4.761500      0.9068000      -1.562800    
 C   -4.643300       1.158000      0.8371000    
 C   -6.148200       1.047900      -1.509200    
 C   -6.030000       1.299000      0.8907000    
 C   -6.782400       1.243900     -0.2826000    
 C   0.3350000       2.589200       1.087100    
 C    1.725700       2.711100      0.5817000    
 C    2.670700       3.435500       1.308400    
 C    2.087600       2.100900     -0.6193000    
 C    3.977500       3.549600      0.8342000    
 C    3.394200       2.215100      -1.093600    
 C    4.339200       2.939500     -0.3669000    
 C    5.916400       2.400500      -2.063300    
 H   0.5149000      -4.927300      -1.682300    
 H  -0.4823000      -5.115200      0.7237000    
 H    2.810100      -3.512000      -1.468200    
 H    1.216800      -3.812600       2.377300    
 H   0.7247000      -2.342800      -2.282000    
 H    1.634600      -1.311800      -1.198300    
 H  -0.8945000      -2.653900       1.636800    
 H   0.4528000      -1.535200       1.655200    
 H  -0.9424000      -2.812600     -0.7310000    
 H    4.337300      -3.395500      0.4858000    
 H    3.506000      -4.875800      0.9780000    
 H    3.667100      -3.522100       2.103200    
 H   -2.161700       1.132500      -1.443200    
 H   -2.250900       2.649900      0.6877000    
 H   -1.810200       1.170900       1.593200    
 H   -4.279900      0.7523000      -2.524600    
 H   -4.090700       1.187700       1.771100    
 H   -6.734300       1.004100      -2.422600    
 H   -6.524700       1.447300       1.846200    
 H   -7.862200       1.352400     -0.2407000    
 H    2.409100       3.918100       2.246200    
 H    1.384000       1.527000      -1.216000    
 H    4.709500       4.114600       1.404700    
 H    3.608000       1.715800      -2.032500    
 H    5.797800       1.314300      -1.986700    
 H    5.338600       2.823800      -2.891900    
 H    6.972500       2.592100      -2.279500    


%chk=000027583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027583

0 1
O 1.541037 -5.699485 0.964209
O -1.101495 -1.099720 -0.731448
O -1.775093 -0.567564 1.438891
O -0.462674 2.272864 0.186274
O -0.473598 4.075499 1.665115
O 5.841526 3.488550 0.353040
N 1.992659 -3.778532 -0.917604
C 0.346013 -5.075805 0.273806
C 1.123295 -4.276465 1.275962
C 0.671468 -4.450771 -1.104362
C 1.881618 -3.204198 0.457811
C -0.370077 -3.329871 -1.394725
C 0.976324 -1.942717 0.348602
C -0.416585 -2.334274 -0.212849
C 3.206953 -4.569121 -1.229577
C -1.733956 -0.299918 0.214464
C -2.369470 0.928418 -0.441451
C -1.939010 2.189924 0.330028
C -3.899895 0.823067 -0.470575
C -4.592893 0.989029 -1.695141
C -4.641547 0.595451 0.717704
C -6.004488 0.933076 -1.735547
C -6.051936 0.537764 0.676216
C -6.738583 0.708452 -0.548495
C 0.169624 3.281930 0.933085
C 1.640432 3.279719 0.738900
C 2.414990 4.245383 1.441255
C 2.293718 2.357017 -0.116265
C 3.807408 4.287678 1.291716
C 3.693413 2.389965 -0.276163
C 4.452699 3.359486 0.430927
C 6.570555 2.562074 -0.520303
H -0.619697 -5.547779 0.485792
H 0.791420 -4.096196 2.304078
H 0.716268 -5.181651 -1.928516
H 2.876945 -2.953598 0.860535
H -1.379739 -3.747189 -1.569475
H -0.051387 -2.800014 -2.308400
H 0.851131 -1.440919 1.325139
H 1.464164 -1.240402 -0.349814
H -1.047212 -2.722860 0.607880
H 3.167358 -4.868485 -2.293101
H 3.334022 -5.474965 -0.603844
H 4.091736 -3.918148 -1.104123
H -1.987885 0.995069 -1.473875
H -2.399950 3.096529 -0.099640
H -2.198196 2.124673 1.400811
H -4.026746 1.160822 -2.618697
H -4.112926 0.442975 1.665507
H -6.528111 1.063187 -2.689243
H -6.614904 0.359357 1.599211
H -7.833051 0.665077 -0.577625
H 1.899198 4.951917 2.099497
H 1.695664 1.617425 -0.656576
H 4.419716 5.022081 1.822850
H 4.176481 1.670473 -0.943496
H 6.434425 1.513295 -0.193598
H 6.251271 2.670157 -1.574570
H 7.627373 2.848366 -0.420709


