%chk=000157957.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157957

0 1
 O   -2.195400      -2.888100     -0.7245000    
 O    2.195400       2.879300     -0.7447000    
 O    1.127900      -1.305700     -0.6572000    
 O   -1.127800       1.297700     -0.6607000    
 O  -0.3672000      -3.128000      -2.066000    
 O   0.3679000       3.103700      -2.089700    
 O    1.893000      -2.999700      0.7310000    
 O   -1.893600       3.007700      0.7075000    
 N    4.778700     -0.8143000      -2.306500    
 N   -4.778000      0.7873000      -2.305900    
 C   4.8000002E-03  1.6400000E-02   1.625600    
 C  -0.7314000     -0.9960000      0.7889000    
 C   0.7308000       1.004800      0.7898000    
 C   -2.116300      -1.337500       1.156200    
 C    2.115500       1.350500       1.153700    
 C  -0.1697000      -1.595300     -0.2759000    
 C   0.1696000       1.591700     -0.2821000    
 C   -2.803400      -2.274000      0.3853000    
 C    2.802900       2.278000      0.3723000    
 C   -2.796700     -0.7741000       2.245400    
 C    2.795500      0.7997000       2.249600    
 C  -0.8950000      -2.590600      -1.097600    
 C   0.8953000       2.577600      -1.114900    
 C   -4.117900      -2.653700      0.6646000    
 C    4.117300       2.660900      0.6479000    
 C   -4.114400      -1.144000       2.539000    
 C    4.112900       1.172900       2.539600    
 C   -4.774300      -2.082900       1.749300    
 C    4.773200       2.102600       1.739300    
 C    2.071700      -2.100400     -7.6899998E-02
 C   -2.072000       2.099200     -9.0000004E-02
 C    3.423300      -1.706000     -0.5532000    
 C   -3.423300       1.699200     -0.5623000    
 C    4.510100      -1.858800      0.2724000    
 C   -4.510400       1.861500      0.2609000    
 C    3.578600      -1.192400      -1.812100    
 C   -3.578000       1.171100      -1.815300    
 C    5.761700      -1.480900     -0.2008000    
 C   -5.762000       1.478200     -0.2084000    
 C    5.841800     -0.9689000      -1.485800    
 C   -5.841500      0.9513000      -1.487500    
 H   0.6310000     -0.5799000       2.291700    
 H  -0.6289000      0.6112000       2.286000    
 H   -2.347200     -4.8799999E-02   2.913500    
 H    2.345700      8.2300000E-02   2.926300    
 H   -4.627700      -3.385600      4.5000002E-02
 H    4.627300       3.385500      2.0099999E-02
 H   -4.624200     -0.6975000       3.388300    
 H    4.622300      0.7364000       3.394200    
 H   -5.796600      -2.366600       1.979800    
 H    5.795400       2.389200       1.967000    
 H    4.415900      -2.259500       1.276900    
 H   -4.416800       2.273800       1.260800    
 H    2.754800      -1.062900      -2.505700    
 H   -2.753900       1.033600      -2.506900    
 H    6.646200      -1.581900      0.4175000    
 H   -6.646800       1.586500      0.4082000    
 H    6.794800     -0.6584000      -1.901300    
 H   -6.794300      0.6360000      -1.899900    


%chk=000157957-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157957

0 1
O -1.730118 -3.306016 -0.480320
O 1.727070 3.310016 -0.480823
O 1.465014 -1.444339 -0.133805
O -1.466144 1.445732 -0.131176
O 0.315685 -3.634386 -1.495553
O -0.319187 3.635066 -1.496036
O 2.312463 -3.311915 1.004385
O -2.314647 3.317534 0.999391
N 5.094993 -0.557239 -1.915845
N -5.092513 0.556969 -1.919622
C 0.001301 0.000658 1.827918
C -0.642853 -1.115647 1.011135
C 0.643119 1.118253 1.011081
C -2.044411 -1.496046 1.176739
C 2.044425 1.500039 1.175643
C 0.127967 -1.836533 0.121891
C -0.129290 1.838968 0.123080
C -2.543736 -2.595627 0.413696
C 2.542119 2.600234 0.412433
C -2.962038 -0.846271 2.054006
C 2.963335 0.851241 2.052270
C -0.349919 -2.969702 -0.682424
C 0.347353 2.972116 -0.682206
C -3.880433 -3.032792 0.505363
C 3.878423 3.038755 0.503104
C -4.294721 -1.275918 2.159742
C 4.295662 1.282265 2.157082
C -4.757356 -2.370738 1.382601
C 4.756694 2.377525 1.379626
C 2.507253 -2.362653 0.221634
C -2.508512 2.366243 0.218976
C 3.793288 -1.983653 -0.411849
C -3.793493 1.985882 -0.415707
C 4.951537 -2.737406 -0.090088
C -4.952403 2.739915 -0.096913
C 3.913246 -0.909522 -1.334322
C -3.911752 0.910401 -1.336798
C 6.176263 -2.386174 -0.689358
C -6.176096 2.387532 -0.697599
C 6.201121 -1.291619 -1.587372
C -6.199318 1.291559 -1.593935
H 0.754918 -0.459305 2.488431
H -0.750245 0.459251 2.491742
H -2.631951 0.004093 2.658424
H 2.634604 0.000714 2.657219
H -4.202321 -3.875414 -0.112482
H 4.198928 3.881764 -0.114934
H -4.979428 -0.760458 2.840382
H 4.981297 0.767457 2.837282
H -5.798228 -2.700272 1.461206
H 5.797301 2.708064 1.457451
H 4.866986 -3.576519 0.608109
H -4.869099 3.580135 0.600100
H 3.035488 -0.323091 -1.619846
H -3.033357 0.323887 -1.620213
H 7.092866 -2.943366 -0.474442
H -7.093136 2.944906 -0.485036
H 7.134885 -0.984459 -2.072128
H -7.132295 0.983307 -2.079512


