%chk=000005668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005668

0 1
 O  -0.6560000      -1.864200       1.714000    
 O  -0.9351000      -2.302900      -1.802000    
 O   -1.998200      -3.314700     -1.7999999E-02
 N    2.426700       1.693600     -0.3925000    
 N  -0.7355000     -0.1859000      0.1115000    
 C    2.104200     -0.6978000      0.3114000    
 C    1.595700      0.4786000     -0.5494000    
 C    1.137600      -1.893200      5.1100001E-02
 C   0.1779000      0.7648000     -0.2361000    
 C    3.535700      -1.023900     -0.1787000    
 C  -0.3617000      -1.583200      0.3520000    
 C    2.149300     -0.3759000       1.825700    
 C    4.431900      0.2241000     -0.2004000    
 C    3.778000       1.421200     -0.9084000    
 C  -0.4052000       2.003000     -0.2423000    
 C    1.807400       2.853000      -1.083000    
 C   0.4106000       3.221900     -0.5052000    
 C   -1.967900      0.4260000      0.2719000    
 C   -1.777800       1.807100      6.3199997E-02
 C    2.711900      -1.541900       2.600300    
 C   -1.202700      -2.508600     -0.4810000    
 C   -3.231200     -9.6500002E-02  0.5946000    
 C   -2.880400       2.676600      0.1926000    
 C   -4.307300      0.7883000      0.7092000    
 C   -4.136500       2.154600      0.5132000    
 C   -1.671600      -3.124200      -2.713600    
 H    1.616700      0.1787000      -1.610200    
 H    1.453500      -2.796000      0.5839000    
 H    1.259300      -2.157900      -1.008600    
 H    3.474800      -1.394500      -1.212200    
 H    4.015700      -1.835200      0.3744000    
 H    1.157400     -0.1326000       2.219100    
 H    2.762800      0.5089000       2.029300    
 H    4.694100      0.5064000      0.8261000    
 H    5.375700     -1.8999999E-02 -0.7028000    
 H    4.415800       2.300100     -0.7559000    
 H    3.747900       1.227700      -1.988900    
 H    1.706300       2.637900      -2.155800    
 H    2.455000       3.733300     -0.9904000    
 H  -0.1087000       3.889200      -1.201800    
 H   0.5440000       3.762800      0.4398000    
 H    2.160900      -2.474800       2.472100    
 H    3.772300      -1.719300       2.405700    
 H    2.650400      -1.307200       3.670400    
 H  -0.3485000      -2.764900       1.913400    
 H   -3.382700      -1.156300      0.7663000    
 H   -2.762000       3.746200      4.2700000E-02
 H   -5.291400      0.4013000      0.9609000    
 H   -4.986800       2.824200      0.6108000    
 H   -1.366300      -2.861700      -3.730000    
 H   -2.744500      -2.936600      -2.609400    
 H   -1.444400      -4.180300      -2.540000    


%chk=000005668-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005668

0 1
O -0.520395 -2.031981 1.655653
O -0.925323 -2.492450 -1.947592
O -2.125149 -3.280779 -0.119866
N 2.471329 1.703409 -0.451051
N -0.678088 -0.254697 0.017584
C 2.166874 -0.707765 0.292730
C 1.667820 0.467649 -0.606384
C 1.220296 -1.894771 -0.056509
C 0.238844 0.760920 -0.310735
C 3.616758 -1.009488 -0.182721
C -0.288632 -1.658525 0.265045
C 2.108635 -0.317942 1.801800
C 4.492843 0.268805 -0.129737
C 3.858086 1.443090 -0.912027
C -0.357773 2.005358 -0.267008
C 1.831802 2.859059 -1.141563
C 0.470034 3.246887 -0.501457
C -1.923482 0.365104 0.287099
C -1.743259 1.789309 0.110634
C 2.671262 -1.372927 2.778268
C -1.208196 -2.572522 -0.606374
C -3.165529 -0.185694 0.668589
C -2.845124 2.656268 0.321338
C -4.243958 0.703289 0.871062
C -4.087301 2.107909 0.700178
C -1.824277 -3.258897 -2.853234
H 1.752598 0.098888 -1.671222
H 1.506050 -2.803472 0.500202
H 1.318527 -2.111281 -1.136417
H 3.582024 -1.380165 -1.229732
H 4.075487 -1.812746 0.422836
H 1.057762 -0.118441 2.077365
H 2.643314 0.640904 1.926516
H 4.643196 0.577152 0.921200
H 5.492507 0.055598 -0.554892
H 4.456105 2.362068 -0.767459
H 3.874277 1.200033 -2.009545
H 1.669923 2.631373 -2.227762
H 2.528059 3.716101 -1.083713
H -0.045689 3.965955 -1.168665
H 0.651216 3.769807 0.458844
H 2.120647 -2.327549 2.702702
H 3.746506 -1.572840 2.612027
H 2.561157 -1.016828 3.819140
H -1.403434 -2.492293 1.710047
H -3.310563 -1.261650 0.802708
H -2.730506 3.738933 0.195818
H -5.219238 0.301650 1.168217
H -4.945924 2.767662 0.868526
H -1.409955 -3.095554 -3.856935
H -2.850668 -2.864919 -2.774637
H -1.814372 -4.326706 -2.579890


