%chk=000053484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053484

0 1
 O    1.881700     -0.2613000       1.629400    
 O    4.212400      -1.680800       2.167200    
 O   -2.232000      -2.298300     -0.3340000    
 O   -4.292500      -1.580500      -1.038000    
 N   -2.796100       2.194900      0.1651000    
 N    3.958000     -0.2104000      -1.221500    
 C   -1.506900      0.3877000      0.3871000    
 C   -1.557700       1.768600      0.5895000    
 C   -3.527900       1.134000     -0.2968000    
 C   -2.756900      1.3000000E-03 -0.1724000    
 C    3.720400      -1.583400      0.8275000    
 C    4.426500     -0.4105000      0.1431000    
 C  -0.3334000     -0.3070000      0.7420000    
 C   0.7431000      0.4039000       1.284800    
 C    2.201900      -1.429500      0.8772000    
 C  -0.4894000       2.492300       1.131200    
 C    4.604000      0.9448000      -1.829700    
 C   0.6640000       1.782000       1.475600    
 C   -3.256200       3.567900      0.2030000    
 C   -4.902700       1.301100     -0.8167000    
 C   -3.178800      -1.318000     -0.5528000    
 C    4.127400       1.092800      -3.271100    
 C    4.305300       2.204500      -1.021500    
 C   -2.587700      -3.638700     -0.6912000    
 C   -1.426200      -4.557400     -0.3770000    
 H    3.976700      -2.517000      0.3128000    
 H    5.508500     -0.5963000      0.1546000    
 H    4.263200      0.4667000      0.7774000    
 H  -0.2878000      -1.382700      0.6269000    
 H    1.763500      -2.291900       1.393600    
 H    1.816900      -1.391700     -0.1492000    
 H  -0.5315000       3.564300       1.286900    
 H    5.690600      0.7924000      -1.857800    
 H    4.142800      -1.046700      -1.774500    
 H    1.510200       2.319800       1.897100    
 H   -3.501200       3.877900     -0.8164000    
 H   -4.136200       3.618400      0.8497000    
 H   -2.485600       4.230100      0.5983000    
 H   -5.276100       2.326900     -0.7738000    
 H   -5.602100      0.6841000     -0.2422000    
 H   -4.951200      0.9852000      -1.864300    
 H    3.045500       1.260900      -3.320700    
 H    4.621400       1.940500      -3.758200    
 H    4.357800      0.1959000      -3.856900    
 H    4.875700       2.250600     -8.8699996E-02
 H    3.238300       2.296400     -0.7881000    
 H    4.588300       3.097100      -1.592000    
 H    3.783300      -2.448900       2.581300    
 H   -2.815600      -3.681000      -1.761900    
 H   -3.469500      -3.945600     -0.1182000    
 H   -1.174900      -4.510000      0.6877000    
 H  -0.5315000      -4.248900     -0.9278000    
 H   -1.663600      -5.592300     -0.6388000    


%chk=000053484-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053484

0 1
O 1.951354 0.319618 1.396084
O 3.978582 -1.031038 2.701844
O -2.113964 -1.927986 -0.813727
O -4.356483 -1.448224 -1.233407
N -3.256871 2.255949 0.811103
N 4.641067 -0.758302 -1.009988
C -1.675694 0.615475 0.496438
C -1.905440 1.920877 1.038737
C -3.889917 1.207056 0.142674
C -2.943908 0.172289 -0.071095
C 3.750414 -1.254422 1.265973
C 4.686004 -0.360177 0.414443
C -0.384727 0.036844 0.596003
C 0.629197 0.782082 1.233580
C 2.273124 -1.041312 0.915272
C -0.888700 2.664877 1.673916
C 4.943796 0.299888 -2.015119
C 0.387367 2.082022 1.767296
C -3.860425 3.521325 1.233357
C -5.339746 1.265540 -0.240274
C -3.246128 -1.087832 -0.746241
C 5.285953 -0.377202 -3.357972
C 3.739149 1.254515 -2.171873
C -2.329718 -3.237662 -1.491619
C -0.996251 -3.979407 -1.449266
H 4.004497 -2.317421 1.097757
H 5.703527 -0.413932 0.862574
H 4.344653 0.686621 0.504116
H -0.212199 -0.956537 0.181339
H 1.630511 -1.774683 1.440300
H 2.133754 -1.109059 -0.180177
H -1.071628 3.662872 2.085428
H 5.829374 0.907016 -1.699646
H 5.204294 -1.602390 -1.181050
H 1.215533 2.610049 2.249445
H -4.920902 3.546001 0.943099
H -3.794731 3.637377 2.330850
H -3.346768 4.376600 0.757025
H -5.993994 1.373769 0.646432
H -5.605776 0.331299 -0.756940
H -5.551137 2.114285 -0.919097
H 4.441009 -1.008276 -3.690841
H 5.483518 0.379122 -4.137939
H 6.185686 -1.016725 -3.270425
H 3.439482 1.697518 -1.205142
H 2.870386 0.701085 -2.572233
H 3.984954 2.082368 -2.862959
H 3.489983 -0.198992 2.939013
H -2.673900 -3.047531 -2.524614
H -3.132048 -3.781987 -0.961037
H -0.672335 -4.149102 -0.407607
H -0.210038 -3.407519 -1.972310
H -1.097537 -4.962419 -1.944704


