%chk=000251402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251402

0 1
O -4.092739 -0.023291 0.129479
O -0.919167 3.112412 -1.075667
N -1.904735 -0.576181 0.566925
N -2.513125 1.562036 -0.464577
N 1.197281 1.116956 -0.030959
N 0.569751 -0.908454 0.842331
N -2.307806 -4.312253 0.696552
C -0.567576 -0.203209 0.457818
C -2.282381 -1.915294 1.108284
C -0.206400 1.056147 -0.093208
C -2.922691 0.301342 0.066610
C -2.212966 -2.988637 0.000946
C -1.154258 2.021913 -0.596297
C 1.626548 -0.078504 0.535008
C -3.605224 2.436866 -1.012664
C 3.049291 -0.428166 0.798199
C 4.024190 0.533179 0.173389
C -3.949972 2.053594 -2.446199
C -0.949229 -4.843582 1.014877
C -3.077572 -5.295696 -0.119809
C 4.541716 1.598379 0.924338
C 4.413919 0.366943 -1.163814
C 5.446484 2.489028 0.339618
C 5.318362 1.260952 -1.742850
C 5.835523 2.322668 -0.993256
H -1.594854 -2.163910 1.950177
H -3.315359 -1.855635 1.525674
H -3.061769 -2.848329 -0.701966
H -1.285743 -2.869979 -0.599428
H 1.748691 1.895970 -0.355324
H -4.497835 2.336980 -0.351954
H -3.251007 3.493895 -0.959418
H 3.238776 -1.470424 0.439240
H 3.204400 -0.495095 1.903220
H -3.081151 2.137880 -3.111215
H -4.322203 1.022286 -2.510758
H -4.733284 2.709000 -2.846028
H -1.060492 -5.710404 1.685627
H -0.356165 -5.152523 0.142111
H -0.373747 -4.077218 1.561954
H -4.103430 -4.917284 -0.261640
H -2.647498 -5.520439 -1.106251
H -3.159626 -6.239377 0.443887
H 4.244874 1.732831 1.963541
H 4.014582 -0.458451 -1.751759
H 5.849554 3.314721 0.925567
H 5.621379 1.129343 -2.781303
H 6.540684 3.017817 -1.446626


%chk=000251402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251402

0 1
O -4.042767 -0.147666 0.131452
O -0.855084 3.097919 -1.161859
N -1.791310 -0.620965 0.551355
N -2.444083 1.466879 -0.485471
N 1.258151 1.086405 -0.069438
N 0.661023 -0.912560 0.832500
N -2.476596 -4.355636 0.665623
C -0.471370 -0.212339 0.431104
C -2.134341 -1.939929 1.135717
C -0.138078 1.028543 -0.131836
C -2.830317 0.209238 0.067450
C -2.349248 -3.019906 0.046173
C -1.102238 1.966632 -0.639456
C 1.700958 -0.089223 0.513589
C -3.549167 2.329844 -0.991600
C 3.152773 -0.402843 0.780213
C 4.116844 0.609373 0.173156
C -3.932460 1.985407 -2.443731
C -1.173352 -4.975523 0.979212
C -3.367873 -5.271405 -0.072236
C 4.505537 1.762173 0.903456
C 4.619199 0.433463 -1.141847
C 5.378564 2.717429 0.334001
C 5.493587 1.385505 -1.713383
C 5.874947 2.531230 -0.976864
H -1.304240 -2.221776 1.802799
H -3.058953 -1.831372 1.723396
H -3.280881 -2.783162 -0.497165
H -1.508181 -2.973077 -0.689607
H 1.840739 1.856588 -0.400723
H -4.411112 2.185235 -0.320818
H -3.188993 3.369196 -0.923122
H 3.352133 -1.419106 0.393720
H 3.294088 -0.460751 1.876607
H -3.071624 2.124837 -3.120272
H -4.288711 0.943673 -2.516514
H -4.746622 2.651535 -2.782615
H -1.330037 -5.883977 1.588342
H -0.598057 -5.264941 0.062867
H -0.545599 -4.279744 1.561937
H -4.358440 -4.802347 -0.204212
H -2.979751 -5.557688 -1.082910
H -3.506339 -6.200396 0.510628
H 4.132021 1.906978 1.924883
H 4.328307 -0.454136 -1.717009
H 5.672610 3.600464 0.911925
H 5.877051 1.233495 -2.728308
H 6.553292 3.269229 -1.418707


