%chk=000032168.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032168

0 1
 O    7.010900     -0.4714000     -0.5505000    
 O   0.7069000      0.7443000      0.1856000    
 O   -2.901900      -1.121400      0.6600000    
 O   -5.186700      0.1848000     -0.1870000    
 O  -0.3760000     -0.7105000       1.603400    
 N    4.371000      0.3609000      0.1133000    
 C    5.429900       1.333600     -0.1904000    
 C    4.623200     -0.8976000     -0.6024000    
 C    3.057100      0.8997000     -0.2315000    
 C    6.792100      0.7448000      0.1654000    
 C    6.004000      -1.433800     -0.2356000    
 C    1.962300      0.1780000      0.5381000    
 C  -0.3849000      0.2041000      0.7942000    
 C   -1.627500      0.8791000      0.3419000    
 C   -2.840000      0.1909000      0.2930000    
 C   -3.996000      0.8444000     -0.1341000    
 C   -1.571300       2.220700     -3.5900000E-02
 C   -2.686200      -2.089700     -0.3636000    
 C   -2.816800      -3.480000      0.2393000    
 C   -3.939600       2.185900     -0.5120000    
 C   -2.727200       2.874000     -0.4629000    
 C   -2.583800      -4.567800     -0.7937000    
 C   -6.319400      0.9268000     -0.6350000    
 H    5.410500       1.594400      -1.256600    
 H    5.282500       2.252900      0.3880000    
 H    3.883200      -1.660600     -0.3418000    
 H    4.575400     -0.7354000      -1.687200    
 H    2.862600      0.8706000      -1.311800    
 H    2.994200       1.961200      4.5400001E-02
 H    6.883000      0.5570000       1.242300    
 H    7.585500       1.444200     -0.1167000    
 H    6.217800      -2.339000     -0.8130000    
 H    6.067400      -1.696100      0.8276000    
 H    1.941100     -0.8893000      0.2936000    
 H    2.120600      0.2923000       1.617700    
 H   -3.428100      -1.955700      -1.160100    
 H   -1.686200      -1.958200     -0.7938000    
 H  -0.6449000       2.787500      4.1999999E-03
 H   -3.812000      -3.595600      0.6848000    
 H   -2.102600      -3.591200       1.064100    
 H   -4.795600       2.757900     -0.8529000    
 H   -2.683200       3.919600     -0.7540000    
 H   -2.684000      -5.555700     -0.3335000    
 H   -1.579300      -4.493100      -1.222200    
 H   -3.311400      -4.497200      -1.608500    
 H   -7.178100      0.2475000     -0.6142000    
 H   -6.201000       1.257200      -1.672500    
 H   -6.553300       1.755000      4.2700000E-02


%chk=000032168-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032168

0 1
O 7.490927 0.152515 -0.165065
O 0.902644 0.631511 -0.168359
O -2.773390 -1.128122 0.514679
O -5.106760 0.199586 -0.071383
O -0.122414 -1.429340 -0.515888
N 4.620136 0.411092 0.207527
C 5.576952 1.264339 0.959803
C 5.196885 0.034089 -1.110262
C 3.268634 1.009504 0.104779
C 6.910553 0.520280 1.137535
C 6.538298 -0.689549 -0.907618
C 2.206117 -0.081503 -0.075388
C -0.218329 -0.184390 -0.399665
C -1.459320 0.635682 -0.534485
C -2.719021 0.077261 -0.185044
C -3.909584 0.831254 -0.436889
C -1.385734 1.950921 -1.071236
C -3.320657 -2.314964 -0.202989
C -3.194975 -3.499099 0.755966
C -3.826563 2.125282 -0.998558
C -2.562029 2.682681 -1.304354
C -3.732461 -4.802241 0.124583
C -6.348274 0.960958 -0.232652
H 5.769945 2.233056 0.433412
H 5.149270 1.492912 1.954191
H 4.500517 -0.640195 -1.641913
H 5.358500 0.937034 -1.752425
H 3.189299 1.748838 -0.729305
H 3.051706 1.553682 1.041813
H 6.746179 -0.395045 1.746140
H 7.662901 1.161726 1.625579
H 7.024919 -0.903942 -1.873417
H 6.366119 -1.638240 -0.355176
H 2.351135 -0.680347 -0.992529
H 2.187708 -0.768604 0.787711
H -4.374877 -2.117299 -0.476801
H -2.713052 -2.475843 -1.114933
H -0.404762 2.370357 -1.307440
H -3.748788 -3.265358 1.684697
H -2.130304 -3.613344 1.030180
H -4.732691 2.709006 -1.187315
H -2.506222 3.690664 -1.728243
H -3.628236 -5.649096 0.826128
H -3.177806 -5.059395 -0.797418
H -4.803535 -4.712109 -0.138420
H -7.140265 0.296764 0.142707
H -6.537995 1.204488 -1.296290
H -6.327099 1.892542 0.365230


