%chk=000041287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041287

1 1
 O    1.340800      0.2465000     -0.4118000    
 O  -0.8249000      0.3623000      -1.970300    
 O   0.1872000       1.929700      0.6484000    
 N    5.029800      0.5326000      7.3500000E-02
 C    3.723100     -4.5100000E-02 -0.4506000    
 C    4.998800      0.5588000       1.595000    
 C    6.191000     -0.3323000     -0.3954000    
 C    5.206500       1.948900     -0.4546000    
 C    2.567300      0.8016000      4.4599999E-02
 C   -1.047000      0.1926000     -0.5555000    
 C   0.1995000      0.9139000     -3.6699999E-02
 C   -2.364900      0.8530000     -0.1435000    
 C   -1.052800      -1.298500     -0.2109000    
 C   -2.730200      0.8226000       1.182500    
 C   -1.520000      -2.189500      -1.149500    
 C   -3.133300       1.452100      -1.115100    
 C  -0.5901000      -1.690900       1.024000    
 C   -3.931100       1.424600       1.558100    
 C   -1.525000      -3.548500     -0.8357000    
 C   -4.334100       2.054100     -0.7393000    
 C  -0.5951000      -3.050000       1.337700    
 C   -4.732900       2.040400      0.5973000    
 C   -1.062600      -3.978800      0.4078000    
 H    3.765600     -6.4700000E-02  -1.546200    
 H    3.636800      -1.080200     -9.8499998E-02
 H    4.340200       1.356100       1.947900    
 H    4.675500     -0.4210000       1.958500    
 H    6.013700      0.7690000       1.948600    
 H    6.193700     -0.3422000      -1.489500    
 H    7.123400      9.6199997E-02 -1.6100001E-02
 H    6.048600      -1.343400     -2.6000000E-03
 H    5.056300       1.941600      -1.538200    
 H    4.507700       2.627800      3.9999999E-02
 H    6.227100       2.270300     -0.2224000    
 H    2.514800      0.8255000       1.136100    
 H    2.621200       1.823900     -0.3400000    
 H   -2.117000      0.3737000       1.954700    
 H   -1.898000      -1.875100      -2.117000    
 H   -2.857200       1.481500      -2.163400    
 H  -0.2181000     -0.9893000       1.763500    
 H  -9.6900001E-02 -0.2221000      -2.244500    
 H   -4.239200       1.419100       2.599600    
 H   -1.892200      -4.271600      -1.558200    
 H   -4.959100       2.533900      -1.487000    
 H  -0.2343000      -3.385400       2.305700    
 H   -5.667200       2.510300      0.8900000    
 H   -1.067100      -5.037000      0.6524000    


%chk=000041287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041287

1 1
O 1.981527 -1.317238 -0.842851
O -0.355588 -2.240677 -1.669971
O 1.225781 -0.674766 1.256530
N 4.025474 1.650621 0.278683
C 3.247191 0.774996 -0.733136
C 5.446754 1.123820 0.467951
C 4.095871 3.071180 -0.286790
C 3.296687 1.692930 1.627632
C 3.289199 -0.748956 -0.450939
C -0.444850 -1.408561 -0.465713
C 0.967422 -1.134658 0.119389
C -0.875504 0.006134 -0.931526
C -1.389418 -2.055278 0.554731
C -1.225081 0.991370 0.027422
C -2.789076 -1.923737 0.362918
C -0.881702 0.328637 -2.309342
C -0.908605 -2.892450 1.593106
C -1.595562 2.287086 -0.394192
C -3.691354 -2.610149 1.201299
C -1.255292 1.627494 -2.726515
C -1.813941 -3.579391 2.432183
C -1.611581 2.609401 -1.773139
C -3.206740 -3.440007 2.239655
H 2.201570 1.126567 -0.705230
H 3.664284 1.005202 -1.727715
H 5.415743 0.158111 0.992360
H 5.922255 1.003200 -0.517687
H 6.016838 1.847580 1.070066
H 3.077172 3.410836 -0.528155
H 4.541294 3.735554 0.469422
H 4.715341 3.070213 -1.196789
H 2.364719 2.264988 1.504476
H 3.036120 0.673762 1.945356
H 3.951564 2.184543 2.363188
H 4.016090 -1.270930 -1.088769
H 3.484007 -0.976819 0.612330
H -1.226819 0.737138 1.093475
H -3.167882 -1.288333 -0.444793
H -0.623790 -0.446785 -3.034992
H 0.167394 -3.001754 1.768195
H -0.408475 -3.193649 -1.402223
H -1.892611 3.036406 0.347783
H -4.769559 -2.501435 1.044565
H -1.281934 1.866058 -3.795288
H -1.433598 -4.219235 3.235390
H -1.915174 3.609869 -2.100329
H -3.907862 -3.971887 2.891383


