%chk=000198239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198239

1 1
O 1.765647 -0.861149 0.412650
N -2.975096 -1.631486 0.050262
C -4.279519 -1.397603 -0.780425
C -3.064828 -0.818030 1.353198
C -4.471111 0.101499 -1.057452
C -1.734444 -1.227121 -0.753910
C -3.282383 0.672475 1.091437
C -4.523486 0.918932 0.234345
C -2.882441 -3.098332 0.423239
C -4.273207 -2.200112 -2.072288
C -0.426265 -1.431844 0.005599
C 0.661224 -0.416162 -0.419231
C 0.279126 1.007038 -0.079801
C -0.222456 1.854692 -1.078676
C 0.429618 1.481348 1.229709
C 3.064800 -0.518413 0.027470
C -0.591782 3.163826 -0.758411
C 0.062579 2.792887 1.544288
C 4.059835 -1.307900 0.650171
C -0.454192 3.632768 0.552913
C 3.372177 0.517838 -0.854846
C 5.394729 -1.017248 0.347914
C 3.707937 -2.399136 1.603502
C 4.719303 0.776638 -1.137021
C 5.724096 0.013206 -0.541472
H -5.121781 -1.757317 -0.124825
H -2.122396 -0.967284 1.936849
H -3.897531 -1.225947 1.970989
H -5.417798 0.241108 -1.626818
H -3.681817 0.493381 -1.730934
H -1.854829 -0.150973 -1.043470
H -1.717176 -1.807243 -1.705701
H -2.382912 1.132305 0.622669
H -3.382008 1.197422 2.068194
H -5.444793 0.684620 0.806108
H -4.605861 2.000756 -0.007901
H -3.803848 -3.453373 0.919725
H -2.720631 -3.734606 -0.467260
H -2.041255 -3.295989 1.113679
H -5.236401 -2.077413 -2.601736
H -3.503949 -1.883219 -2.789521
H -4.164727 -3.282384 -1.920842
H -0.019835 -2.454419 -0.152846
H -0.553513 -1.339476 1.108197
H 0.939183 -0.536017 -1.490258
H -0.297743 1.513473 -2.109614
H 0.869606 0.830828 1.989633
H -0.969474 3.828894 -1.535877
H 0.197122 3.166844 2.560453
H -0.730950 4.659549 0.796781
H 2.600086 1.135420 -1.303391
H 6.189714 -1.603617 0.811142
H 2.632883 -2.624503 1.597039
H 4.242200 -3.330681 1.367924
H 3.976955 -2.122075 2.634189
H 4.979171 1.583083 -1.822868
H 6.770749 0.218844 -0.764267


%chk=000198239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198239

1 1
O 1.818047 -0.923016 0.464865
N -3.052772 -1.681387 -0.012795
C -4.325294 -1.292704 -0.876998
C -3.335449 -1.252816 1.452221
C -4.645117 0.212779 -0.738822
C -1.782909 -1.007006 -0.574914
C -3.637438 0.243441 1.597670
C -4.842808 0.656849 0.726604
C -2.875259 -3.196698 -0.018245
C -4.206623 -1.728941 -2.345853
C -0.486139 -1.317828 0.187834
C 0.689702 -0.451109 -0.347664
C 0.421395 1.045624 -0.189356
C 0.048246 1.831093 -1.308409
C 0.503007 1.653055 1.088805
C 3.147219 -0.630955 0.037842
C -0.251963 3.204252 -1.153634
C 0.207971 3.025533 1.243889
C 4.162804 -1.231540 0.833334
C -0.175960 3.803157 0.125111
C 3.455022 0.173250 -1.081233
C 5.505887 -0.996613 0.458712
C 3.804907 -2.088682 2.030873
C 4.809406 0.385930 -1.429041
C 5.837788 -0.198722 -0.661720
H -5.131977 -1.873824 -0.386336
H -2.465155 -1.560415 2.053230
H -4.203301 -1.858936 1.771377
H -5.571898 0.391287 -1.314814
H -3.862409 0.820311 -1.231788
H -1.963972 0.077572 -0.579147
H -1.699112 -1.345163 -1.621764
H -2.745444 0.851405 1.356982
H -3.853959 0.429137 2.665953
H -5.766099 0.196955 1.131622
H -4.987200 1.750030 0.771893
H -3.849318 -3.673001 0.173614
H -2.481848 -3.524536 -0.990403
H -2.166267 -3.479034 0.773572
H -5.187345 -1.560730 -2.824507
H -3.471750 -1.128184 -2.908253
H -3.974298 -2.798953 -2.474673
H -0.188043 -2.375978 0.085851
H -0.575294 -1.090300 1.265080
H 0.871292 -0.691282 -1.418396
H 0.019431 1.379531 -2.309611
H 0.839054 1.058452 1.946180
H -0.522846 3.807750 -2.026619
H 0.293947 3.494154 2.230177
H -0.392691 4.869762 0.245884
H 2.671017 0.657573 -1.669141
H 6.303653 -1.451030 1.057485
H 3.162680 -2.939993 1.738691
H 4.712921 -2.488551 2.511817
H 3.240445 -1.510514 2.786029
H 5.051411 1.013117 -2.293510
H 6.887004 -0.034956 -0.926945


