%chk=000046653.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046653

0 1
 O    4.713600     -0.3189000     -7.3000002E-03
 O    6.085100       1.537700      1.1700000E-02
 O    8.273300     -1.7700000E-02 -2.5400000E-02
 N    9.326900      -1.023600     -3.3199999E-02
 C   -2.781600     -0.4379000      2.1700000E-02
 C   -4.087000      0.3647000      7.7000000E-03
 C   -1.529400      0.4421000      3.0099999E-02
 C   -5.379500     -0.4557000      8.8500001E-02
 C  -0.2246000     -0.3609000      3.1399999E-02
 C   -6.647900      0.3976000      1.0200000E-02
 C    1.028500      0.5181000      1.5200000E-02
 C   -7.937200     -0.4304000      2.3000001E-03
 C    2.301700     -0.3342000     -1.1200000E-02
 C   -9.205800      0.4171000     -0.1027000    
 C    3.565500      0.5174000     -1.5000000E-03
 C   -10.45620     -0.4465000     -3.0099999E-02
 C    5.923000      0.3250000      5.0000002E-04
 C    7.031800     -0.6939000     -7.8999996E-03
 H   -2.758600      -1.097700     -0.8541000    
 H   -2.770400      -1.085700      0.9068000    
 H   -4.111000      0.9718000     -0.9062000    
 H   -4.074400       1.071800      0.8470000    
 H   -1.551100       1.093600      0.9124000    
 H   -1.546200       1.098300     -0.8488000    
 H   -5.384500      -1.030000       1.022900    
 H   -5.385600      -1.184800     -0.7310000    
 H  -0.2026000      -1.007600      0.9173000    
 H  -0.2124000      -1.022300     -0.8440000    
 H   -6.613900       1.009800     -0.8995000    
 H   -6.668100       1.092500      0.8588000    
 H    1.034100       1.163400      0.9018000    
 H    1.007300       1.173300     -0.8638000    
 H   -7.906200      -1.136900     -0.8364000    
 H   -7.976800      -1.030900      0.9197000    
 H    2.307200     -0.9788000     -0.8990000    
 H    2.319000      -1.012900      0.8509000    
 H   -9.202300      0.9752000      -1.045900    
 H   -9.229300       1.152000      0.7102000    
 H    3.582500       1.163800     -0.8870000    
 H    3.580800       1.146200      0.8968000    
 H   -10.50360     -0.9899000      0.9190000    
 H   -11.35210      0.1772000     -0.1094000    
 H   -10.47670      -1.176200     -0.8459000    
 H    6.922100      -1.310100     -0.9076000    
 H    6.941900      -1.302800      0.8989000    
 H    9.118100      -1.574300      0.7976000    
 H    9.100400      -1.579700     -0.8558000    


%chk=000046653-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046653

0 1
O 4.767356 -0.317407 0.000339
O 6.176173 1.548833 -0.049375
O 8.416295 -0.109324 -0.006320
N 9.499254 -1.103384 0.045247
C -2.823406 -0.377133 -0.009659
C -4.128698 0.450144 -0.011993
C -1.547128 0.494028 -0.022086
C -5.405319 -0.420611 -0.000204
C -0.242875 -0.334524 -0.015352
C -6.711073 0.406212 -0.001323
C 1.032066 0.538626 -0.029141
C -7.987744 -0.464617 0.009867
C 2.331358 -0.301356 -0.013303
C -9.293942 0.362410 0.008433
C 3.574095 0.587141 -0.030373
C -10.563623 -0.516319 0.019671
C 6.015116 0.315873 -0.010953
C 7.092193 -0.764363 0.035575
H -2.815813 -1.051309 -0.891720
H -2.809221 -1.035560 0.884176
H -4.143233 1.109214 -0.905340
H -4.136950 1.123933 0.870390
H -1.556784 1.169954 0.858519
H -1.560453 1.150380 -0.917320
H -5.390735 -1.080304 0.892741
H -5.397784 -1.093914 -0.883003
H -0.229274 -0.989162 0.880904
H -0.233593 -1.011100 -0.895174
H -6.725876 1.066218 -0.894066
H -6.719207 1.079233 0.881725
H 1.018034 1.218501 0.847935
H 1.019440 1.188903 -0.928390
H -7.981188 -1.137832 -0.873075
H -7.974779 -1.124585 0.902703
H 2.352888 -0.977282 -0.889750
H 2.352907 -0.942153 0.889187
H -9.305980 1.021458 -0.883784
H -9.299580 1.034785 0.890706
H 3.633314 1.209628 -0.942342
H 3.623406 1.256544 0.848449
H -10.589694 -1.162464 0.917572
H -11.483195 0.097585 0.018203
H -10.595969 -1.176185 -0.867972
H 6.952259 -1.447717 -0.829470
H 6.964593 -1.355379 0.968208
H 9.413329 -1.635494 0.932099
H 9.406839 -1.731823 -0.775463


