%chk=000005527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005527

0 1
 O   -4.492100      -1.992600     -0.5236000    
 O   -6.482600     -0.2125000      0.2473000    
 O    1.514600       2.430400     -0.1194000    
 O    4.771700      -3.034800     -0.4476000    
 O    2.896000      -2.416500      0.6776000    
 N    2.272800      0.2120000      1.2400000E-02
 C   -2.525900       1.032500      6.5200001E-02
 C    3.681700      0.3555000     -2.0900000E-02
 C   -4.183000     -0.7053000     -0.2026000    
 C   -2.854900     -0.2831000     -0.2619000    
 C   -5.182100      0.1882000      0.1840000    
 C   -3.525200       1.925800      0.4516000    
 C    4.500200     -0.7606000      3.8899999E-02
 C   -4.853200       1.503700      0.5109000    
 C   -1.141400       1.473300      2.4000001E-03
 C    4.210500       1.633300     -0.1126000    
 C  -6.1700001E-02  0.6594000      2.3300000E-02
 C    5.884900     -0.5949000      5.9000002E-03
 C    1.321800       1.223000     -3.6699999E-02
 C    5.595100       1.798800     -0.1455000    
 C    6.432300      0.6848000     -8.6199999E-02
 C    3.961400      -2.111500      0.1362000    
 C   -4.475400      -2.946800      0.5363000    
 C   -7.265500     -6.1999999E-02 -0.9352000    
 H   -2.108800      -1.002600     -0.5879000    
 H   -3.288000       2.954600      0.7116000    
 H   -5.626400       2.204500      0.8141000    
 H  -0.9975000       2.550100     -5.5100001E-02
 H    1.935200     -0.7446000      7.7500001E-02
 H    3.640100       2.547700     -0.1628000    
 H  -0.1531000     -0.4179000      0.1075000    
 H    6.565200      -1.440500      6.4199999E-02
 H    6.023100       2.794600     -0.2164000    
 H    7.510400      0.8144000     -0.1086000    
 H   -5.202400      -2.677400       1.308900    
 H   -3.473500      -3.018900      0.9713000    
 H   -4.748600      -3.921800      0.1238000    
 H   -6.840200     -0.6477000      -1.756300    
 H   -7.330700      0.9928000      -1.220100    
 H   -8.273600     -0.4314000     -0.7280000    
 H    4.402200      -3.940900     -0.3783000    


%chk=000005527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005527

0 1
O -4.598061 -2.054092 -0.193976
O -6.631531 0.041919 0.070898
O 1.615307 2.448471 0.347556
O 5.058425 -3.031112 -0.700975
O 2.864507 -2.333639 -0.542469
N 2.414322 0.258727 -0.059836
C -2.477471 1.004322 0.172930
C 3.806266 0.444085 -0.038907
C -4.253766 -0.692036 -0.020577
C -2.892762 -0.347943 0.002233
C -5.252192 0.326431 0.090785
C -3.484294 1.999636 0.337281
C 4.666564 -0.696504 -0.258933
C -4.850722 1.665029 0.292642
C -1.070535 1.413475 0.209608
C 4.404191 1.717412 0.193503
C 0.035662 0.624040 0.047914
C 6.079256 -0.526152 -0.239139
C 1.396934 1.213764 0.128366
C 5.803637 1.849618 0.207090
C 6.652466 0.733661 -0.008371
C 4.100579 -2.033588 -0.501978
C -5.291870 -2.660643 0.967710
C -7.134223 -0.604120 -1.167086
H -2.166077 -1.160614 -0.096967
H -3.184911 3.043373 0.485960
H -5.629369 2.426790 0.397413
H -0.871807 2.480452 0.389631
H 2.130091 -0.722880 -0.237093
H 3.748398 2.573765 0.358397
H -0.046547 -0.453744 -0.143698
H 6.706920 -1.404883 -0.408604
H 6.239421 2.838627 0.388390
H 7.740340 0.851747 0.004857
H -6.221076 -2.112000 1.206523
H -4.622351 -2.664439 1.848361
H -5.520011 -3.693831 0.665420
H -6.584023 -1.537003 -1.381405
H -7.035988 0.094635 -2.018722
H -8.196955 -0.812832 -0.973239
H 4.586657 -3.892825 -0.856292


