%chk=000045300.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045300

0 1
 O   0.6987000      0.6393000      -1.775200    
 O   0.1234000      -1.592000      -1.737500    
 N    2.292600      -1.047000      6.1700001E-02
 C  -0.5325000     -0.1678000      0.1582000    
 C   0.1651000     -0.9523000       1.265300    
 C    1.672700     -0.6820000       1.318600    
 C  -0.2573000       1.295100      0.2386000    
 C   -1.993700     -0.4786000      0.1196000    
 C   0.1118000     -0.4901000      -1.204400    
 C   0.4446000       1.673700     -0.8924000    
 C    2.329300      -1.484600       2.436900    
 C    2.124400      -2.479200     -0.2107000    
 C    3.719100     -0.7026000      5.9799999E-02
 C  -0.5816000       2.223500       1.214000    
 C   -2.783000      2.1199999E-02 -0.9143000    
 C   -2.562700      -1.267800       1.117200    
 C   0.8481000       2.979100      -1.102600    
 C  -0.1851000       3.549600       1.023300    
 C    2.705700      -2.852600      -1.563800    
 C    3.927300      0.7761000      0.3395000    
 C   0.5252000       3.925000     -0.1285000    
 C   -4.146900     -0.2690000     -0.9506000    
 C   -3.926500      -1.558200       1.080700    
 C   -4.718600      -1.058700      4.6799999E-02
 H  -0.2195000     -0.6294000       2.245400    
 H  -3.7000000E-02  -2.028100       1.212000    
 H    1.801300      0.3780000       1.554000    
 H    1.905600      -1.148300       3.393300    
 H    2.121300      -2.558300       2.404500    
 H    3.405500      -1.328900       2.542400    
 H    2.669600      -3.098600      0.5123000    
 H    1.099400      -2.849600     -0.1756000    
 H    4.339000      -1.316700      0.7216000    
 H    4.122000     -0.8533000     -0.9487000    
 H   -1.128500       1.936200       2.105400    
 H   -2.365900      0.6400000      -1.704000    
 H   -2.021900      -1.683000       1.958800    
 H    1.398100       3.264400      -1.992300    
 H  -0.4271000       4.298100       1.772800    
 H    2.446300      -2.143000      -2.355400    
 H    3.797300      -2.938600      -1.529000    
 H    2.328300      -3.835600      -1.868200    
 H    3.288900       1.406600     -0.2842000    
 H    3.779100       1.037200       1.391200    
 H    4.963400       1.044600      0.1020000    
 H   0.8265000       4.960600     -0.2600000    
 H   -4.763900      0.1201000      -1.755200    
 H   -4.373800      -2.170700       1.858300    
 H   -5.780600      -1.284100      1.8900000E-02


%chk=000045300-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045300

0 1
O 0.415962 0.298566 -2.090626
O -0.086890 -1.951329 -1.710958
N 2.373108 -1.109425 0.266182
C -0.551491 -0.238901 0.098639
C 0.086436 -0.997347 1.307996
C 1.604431 -0.772260 1.504816
C -0.143008 1.222126 -0.001459
C -2.094519 -0.456703 0.135131
C -0.029145 -0.800696 -1.260491
C 0.377659 1.467192 -1.290991
C 2.086398 -1.494187 2.794903
C 2.461853 -2.577178 -0.006186
C 3.725964 -0.475931 0.190105
C -0.198830 2.279150 0.924092
C -3.001956 0.615610 0.318678
C -2.614050 -1.772713 0.005728
C 0.823047 2.724335 -1.718677
C 0.251987 3.565114 0.528763
C 2.979246 -2.915753 -1.418358
C 3.763999 1.042271 0.441974
C 0.747856 3.784315 -0.780168
C -4.394038 0.377262 0.390674
C -4.002888 -2.009010 0.076540
C -4.901631 -0.935127 0.275063
H -0.436373 -0.664066 2.225608
H -0.139747 -2.074163 1.196633
H 1.744850 0.311991 1.657829
H 1.585314 -1.070124 3.684747
H 1.864002 -2.576321 2.768301
H 3.176497 -1.372266 2.933193
H 3.111214 -3.084353 0.749654
H 1.448480 -3.002914 0.092992
H 4.441770 -0.981407 0.888634
H 4.103461 -0.661283 -0.830478
H -0.584277 2.116260 1.937192
H -2.629922 1.641434 0.393284
H -1.933679 -2.608907 -0.185227
H 1.213911 2.871680 -2.729142
H 0.213000 4.396955 1.240013
H 2.401118 -2.367936 -2.180040
H 4.052278 -2.687054 -1.544425
H 2.848484 -3.997248 -1.606188
H 3.017212 1.566798 -0.178158
H 3.590296 1.310480 1.499505
H 4.764616 1.426614 0.170535
H 1.085179 4.784634 -1.072507
H -5.079644 1.220819 0.530424
H -4.383473 -3.030849 -0.031884
H -5.980567 -1.118452 0.328636


