%chk=000244359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244359

0 1
O 1.257439 -1.074912 -1.820424
N -0.380729 -0.541943 -0.370622
N -3.256605 -0.628799 0.315799
N -4.999699 0.983587 0.492061
C -1.407443 -0.970908 -1.359488
C -0.904800 -0.026803 0.920683
C -2.613837 -1.587813 -0.631770
C -2.351343 0.474306 0.770666
C 1.998443 -0.298944 0.373509
C 0.969023 -0.679910 -0.698526
C -4.608815 -0.275836 0.087840
C 3.300785 -1.067142 0.244490
C 2.275548 1.190176 0.308303
C -5.543761 -1.220485 -0.414396
C 3.916971 -1.534662 1.417336
C 2.335067 1.933278 1.496471
C 3.913666 -1.292435 -0.995181
C 2.482918 1.827290 -0.924049
C -6.885137 -0.858183 -0.481128
C 5.131530 -2.221008 1.345309
C 2.594284 3.306138 1.447926
C 5.127584 -1.982031 -1.061402
C 2.739952 3.199510 -0.965409
C -6.316609 1.297731 0.420311
C 5.740013 -2.446242 0.106268
C 2.794360 3.942005 0.218968
C -7.292287 0.414292 -0.062024
H -0.953006 -1.709960 -2.064756
H -1.714916 -0.094756 -1.974378
H -0.271400 0.819520 1.275789
H -0.858518 -0.835961 1.686702
H -3.338643 -1.973432 -1.382058
H -2.288922 -2.464523 -0.021091
H -2.731239 0.834055 1.757343
H -2.393443 1.349852 0.081623
H 1.566611 -0.552480 1.380516
H -5.223594 -2.212014 -0.717794
H 3.456386 -1.362124 2.387282
H 2.195365 1.446124 2.458828
H 3.429005 -0.948542 -1.914363
H 2.446111 1.248349 -1.849716
H -7.621710 -1.568484 -0.859048
H 5.604964 -2.580677 2.256914
H 2.642960 3.880516 2.371756
H 5.595017 -2.157682 -2.029108
H 2.900382 3.691031 -1.924225
H -6.578697 2.307391 0.760454
H 6.685574 -2.981188 0.051868
H 2.995161 5.010891 0.183746
H -8.334471 0.710335 -0.108206


%chk=000244359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244359

0 1
O 1.405263 -0.889696 -2.015815
N -0.414228 -0.018524 -0.862613
N -3.250716 -0.060590 -0.490633
N -4.939911 0.456034 1.074271
C -1.309921 -0.322507 -2.001971
C -1.024417 0.680981 0.303108
C -2.636954 -0.929871 -1.516261
C -2.467182 1.101438 -0.033544
C 1.824762 -0.002724 0.252456
C 0.930462 -0.355260 -0.963346
C -4.470792 -0.388603 0.094433
C 2.923206 -1.053133 0.463488
C 2.382502 1.425957 0.096967
C -5.206452 -1.552776 -0.305724
C 2.867590 -1.895941 1.601278
C 2.588516 2.218239 1.255502
C 3.994915 -1.207827 -0.450772
C 2.730903 1.962954 -1.168959
C -6.436038 -1.820339 0.320813
C 3.861856 -2.875394 1.827689
C 3.135345 3.516516 1.156044
C 4.987922 -2.185713 -0.227699
C 3.276609 3.262552 -1.269445
C -6.131768 0.167691 1.662661
C 4.927381 -3.022474 0.911537
C 3.482569 4.043888 -0.109485
C -6.925202 -0.950821 1.327736
H -0.776956 -1.031356 -2.656271
H -1.500965 0.594417 -2.593983
H -0.433891 1.580448 0.562229
H -1.044415 0.009974 1.184959
H -3.313501 -1.045294 -2.388855
H -2.451291 -1.943576 -1.102227
H -2.971651 1.503331 0.859490
H -2.460928 1.899343 -0.803379
H 1.202575 -0.013502 1.165724
H -4.826931 -2.225296 -1.078950
H 2.040333 -1.787792 2.315096
H 2.332039 1.810028 2.241389
H 4.045909 -0.573245 -1.339715
H 2.569793 1.363480 -2.072391
H -7.011092 -2.705354 0.026116
H 3.804316 -3.518300 2.713423
H 3.290748 4.114240 2.061376
H 5.809755 -2.297263 -0.944127
H 3.541514 3.664455 -2.254069
H -6.455484 0.873623 2.437172
H 5.701338 -3.779351 1.082645
H 3.906435 5.051161 -0.189558
H -7.878371 -1.131729 1.831787


