%chk=000283363.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283363

0 1
O -1.604198 -3.482176 -0.645120
O -0.500019 3.207149 0.029251
O -0.246934 -3.147628 1.007398
O 0.674167 2.123864 1.486724
O -5.441326 -0.484143 -0.568403
O -5.083223 1.645024 -0.362796
N 3.151106 -0.259014 -0.215310
N -1.062426 -2.779854 0.187412
N -0.221189 2.210976 0.670029
N -4.731396 0.481330 -0.364462
C 3.541789 1.142516 0.153397
C 4.043217 -0.811113 -1.287964
C 4.987461 1.152819 0.674812
C 5.498062 -0.823356 -0.788547
C 5.953358 0.579785 -0.369581
C 1.712179 -0.326868 -0.617661
C 0.891353 -0.549630 0.675342
C -0.557787 -0.300404 0.453067
C -1.476360 -1.347847 0.197599
C -1.079814 1.018930 0.426436
C -2.828278 -1.105457 -0.077269
C -2.427627 1.283782 0.155513
C -3.297668 0.213573 -0.086881
H 2.852168 1.494746 0.955431
H 3.440765 1.853023 -0.695133
H 3.974717 -0.241051 -2.239132
H 3.718696 -1.853096 -1.501040
H 5.047374 0.554205 1.606230
H 5.275924 2.184388 0.947358
H 6.157595 -1.226467 -1.578211
H 5.582862 -1.514334 0.074939
H 6.002009 1.245897 -1.251480
H 6.979081 0.539932 0.041730
H 1.545345 -1.185600 -1.303864
H 1.360272 0.580153 -1.153597
H 1.111994 -1.571813 1.071740
H 1.296180 0.100673 1.495405
H -3.520138 -1.940851 -0.292434
H -2.805395 2.322635 0.124670


%chk=000283363-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000283363

0 1
O -1.454622 -3.590063 -0.514071
O -0.786386 3.343000 0.030401
O -0.156728 -3.103483 1.297137
O 0.541539 2.284197 1.554274
O -5.460224 -0.788156 -0.671937
O -5.210650 1.480549 -0.527543
N 3.134682 0.012666 -0.417374
N -0.972601 -2.769944 0.357119
N -0.410807 2.289642 0.678585
N -4.757917 0.274213 -0.464644
C 3.713786 1.242514 0.162912
C 3.978453 -0.675542 -1.418188
C 5.117586 0.982552 0.746898
C 5.383998 -0.968426 -0.851626
C 6.037390 0.322534 -0.306146
C 1.698033 0.026002 -0.624344
C 0.936267 -0.421794 0.696735
C -0.552073 -0.259910 0.537877
C -1.438105 -1.351904 0.279529
C -1.169552 1.029872 0.425328
C -2.794984 -1.207436 -0.055866
C -2.523910 1.223520 0.097762
C -3.323551 0.093213 -0.132169
H 3.030086 1.621594 0.946467
H 3.778533 2.043973 -0.615890
H 4.082433 -0.053338 -2.342913
H 3.479530 -1.618208 -1.709250
H 5.024329 0.315615 1.625563
H 5.546768 1.939816 1.098069
H 6.008234 -1.418679 -1.646548
H 5.293797 -1.710519 -0.035059
H 6.210650 1.031868 -1.142001
H 7.026334 0.096058 0.133664
H 1.431820 -0.672320 -1.438912
H 1.330096 1.034777 -0.921600
H 1.212132 -1.459474 0.919026
H 1.299902 0.214130 1.516279
H -3.425997 -2.077816 -0.252512
H -2.944373 2.229403 0.020565


