%chk=000029990.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029990

0 1
 O  -0.3536000      0.1042000      0.1749000    
 O    1.054500     -0.2913000       1.933100    
 N   -3.161200     -0.3066000     -0.1755000    
 N    1.826200     -0.1579000     -0.2730000    
 C   -2.613900      0.9880000      0.2294000    
 C   -1.294400      0.7982000      0.9950000    
 C   -2.429500       1.897500     -0.9935000    
 C  -0.7014000       2.153200       1.394000    
 C   -1.829200       3.244400     -0.5917000    
 C  -0.5279000       3.079300      0.1888000    
 C   -3.338300      -1.178300      0.9945000    
 C   -4.427200     -0.1258000     -0.8997000    
 C   -3.864000      -2.554200      0.5827000    
 C   -4.988500      -1.467500      -1.373500    
 C   -5.160600      -2.438000     -0.2107000    
 C   0.8781000     -0.1330000      0.7312000    
 C    3.218400     -0.3704000     -0.1507000    
 C    4.028500     -0.3624000      -1.276000    
 C    3.747600     -0.5852000       1.113300    
 C    5.400000     -0.5740000      -1.134500    
 C    3.472000     -0.1322000      -2.643800    
 C    5.119100     -0.7967000       1.254700    
 C    5.945200     -0.7912000      0.1310000    
 H   -3.322800       1.485700      0.9084000    
 H   -1.442200      0.2504000       1.931300    
 H   -3.377700       2.141800      -1.480900    
 H   -1.786700       1.418200      -1.742900    
 H   0.2639000       2.060000       1.900800    
 H   -1.377200       2.636400       2.111700    
 H   -2.551900       3.796700      2.2000000E-02
 H   -1.645800       3.848700      -1.487500    
 H   0.2487000       2.682900     -0.4762000    
 H  -0.1802000       4.061200      0.5296000    
 H   -4.017000     -0.7251000       1.728700    
 H   -2.393000      -1.395500       1.497900    
 H   -4.298000      0.4500000      -1.819500    
 H   -5.170700      0.3899000     -0.2783000    
 H   -4.031600      -3.169800       1.474000    
 H   -3.109700      -3.070300     -2.5100000E-02
 H   -4.312900      -1.907400      -2.118500    
 H   -5.953300      -1.312100      -1.869600    
 H   -5.463400      -3.422500     -0.5836000    
 H   -5.962000      -2.081500      0.4480000    
 H    1.468600     -2.0999999E-03  -1.210900    
 H    3.179800     -0.6048000       2.031300    
 H    6.058400     -0.5730000      -1.999100    
 H    2.743900     -0.9093000      -2.899000    
 H    2.994800      0.8516000      -2.704700    
 H    4.254500     -0.1591000      -3.410300    
 H    5.545200     -0.9659000       2.239500    
 H    7.013100     -0.9559000      0.2414000    


%chk=000029990-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029990

0 1
O -0.236084 0.959951 0.139467
O 0.955008 0.178446 2.021589
N -2.978595 -0.127581 -0.239874
N 1.785650 0.035338 -0.201849
C -2.666734 1.266378 0.204886
C -1.363240 1.397405 1.024505
C -2.614234 2.241380 -1.003470
C -1.111040 2.850801 1.475523
C -2.391591 3.704312 -0.550798
C -1.100681 3.840188 0.289434
C -2.598275 -1.207167 0.710685
C -4.413299 -0.261399 -0.615730
C -2.827385 -2.600193 0.085803
C -4.701783 -1.618694 -1.288247
C -4.293803 -2.783405 -0.360298
C 0.865888 0.365371 0.780658
C 3.056662 -0.585769 -0.048583
C 3.812344 -0.835330 -1.237856
C 3.570924 -0.949164 1.223136
C 5.078575 -1.450022 -1.108045
C 3.273586 -0.453517 -2.607007
C 4.838760 -1.560727 1.315360
C 5.600513 -1.815171 0.153760
H -3.465981 1.632208 0.908647
H -1.360924 0.739471 1.911096
H -3.547991 2.173629 -1.589752
H -1.790195 1.914873 -1.664171
H -0.158644 2.886523 2.035835
H -1.913893 3.128359 2.188691
H -3.260789 4.042367 0.051857
H -2.342886 4.365759 -1.437081
H -0.223015 3.628318 -0.351432
H -0.988029 4.875019 0.665101
H -3.183841 -1.137157 1.667281
H -1.531134 -1.112110 0.967534
H -4.684801 0.554707 -1.307249
H -5.070173 -0.156847 0.291085
H -2.540338 -3.376623 0.821037
H -2.158336 -2.704805 -0.790283
H -4.126012 -1.675905 -2.232105
H -5.777392 -1.678581 -1.544961
H -4.428159 -3.756287 -0.870081
H -4.953526 -2.791794 0.532412
H 1.481433 0.262845 -1.150190
H 2.975132 -0.751304 2.116531
H 5.663143 -1.645069 -2.015263
H 2.321664 -0.971427 -2.842044
H 3.093730 0.636997 -2.697307
H 3.992026 -0.727271 -3.396970
H 5.227848 -1.837797 2.301408
H 6.584617 -2.290228 0.225825


