%chk=000256505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256505

0 1
O 0.077793 2.687738 0.065255
O -2.134610 3.107696 -0.165147
N -3.368244 0.937081 2.494908
C -1.340179 -0.165240 -0.215465
C 0.104769 -0.271405 -0.773125
C -1.785477 -1.470158 0.486996
C -2.281713 0.160936 -1.402817
C -1.337982 0.998668 0.855686
C 1.149596 -0.713983 0.259553
C -1.647799 -2.722848 -0.388412
C 2.571605 -0.615794 -0.308907
C -3.723276 0.467396 -1.014731
C -2.216090 -3.960501 0.321369
C -1.253703 2.367612 0.192456
C 3.615896 -1.088615 0.711420
C -2.480369 0.968730 1.756473
C 5.038025 -0.991706 0.143269
C -2.071769 -5.215896 -0.535597
C 6.084103 -1.463857 1.162994
C 0.422192 3.959899 -0.574210
C 7.501540 -1.370353 0.602659
C 0.259673 3.844186 -2.074729
H 0.114538 -0.973599 -1.628976
H 0.405377 0.713100 -1.192096
H -2.848181 -1.370674 0.797566
H -1.213055 -1.610983 1.423625
H -1.876066 1.013309 -1.984127
H -2.271325 -0.703458 -2.100478
H -0.396291 0.854946 1.480407
H 0.947181 -1.752380 0.587493
H 1.066847 -0.082986 1.170616
H -0.585579 -2.897788 -0.647019
H -2.174377 -2.570433 -1.351768
H 2.785622 0.428706 -0.608685
H 2.650983 -1.218102 -1.234302
H -3.814496 1.454886 -0.536636
H -4.372821 0.484574 -1.897470
H -4.134176 -0.276779 -0.321862
H -3.284059 -3.797634 0.567801
H -1.702961 -4.109201 1.291619
H 3.539022 -0.485055 1.636411
H 3.402470 -2.132088 1.013797
H 5.117927 -1.594937 -0.781403
H 5.254235 0.050896 -0.159209
H -2.481043 -6.093612 -0.022227
H -1.022240 -5.431306 -0.765589
H -2.603484 -5.118127 -1.488964
H 5.870444 -2.507694 1.465729
H 6.007689 -0.859499 2.088089
H 1.474384 4.071299 -0.253671
H -0.210133 4.753325 -0.136861
H 7.623332 -1.989217 -0.293556
H 8.240715 -1.708856 1.337406
H 7.760298 -0.341551 0.327723
H 0.634930 4.738660 -2.587388
H -0.799344 3.729673 -2.352846
H 0.799953 2.978499 -2.477347


%chk=000256505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256505

0 1
O -0.000689 2.793952 0.556375
O -1.942134 3.048009 -0.715453
N -3.951431 1.235861 1.993617
C -1.514628 -0.184318 -0.318150
C -0.032395 -0.253678 -0.823980
C -1.910929 -1.471940 0.473181
C -2.410282 0.022004 -1.585599
C -1.619852 1.031314 0.714783
C 1.081620 -0.490014 0.221329
C -1.785389 -2.805125 -0.298501
C 2.474123 -0.613426 -0.440751
C -3.944121 0.004867 -1.409001
C -2.214642 -4.015447 0.564193
C -1.251201 2.388538 0.089537
C 3.616167 -0.841666 0.574908
C -2.925980 1.143738 1.391213
C 5.003823 -0.987764 -0.089510
C -2.091231 -5.359951 -0.183818
C 6.147908 -1.212959 0.925706
C 0.530191 4.088800 0.015614
C 7.528739 -1.366032 0.251934
C 1.275152 3.861370 -1.301963
H 0.017546 -1.064685 -1.577359
H 0.195867 0.679248 -1.380239
H -2.955904 -1.367419 0.824474
H -1.290377 -1.537138 1.390991
H -2.124643 0.976800 -2.066047
H -2.127968 -0.774719 -2.302627
H -0.875767 0.835495 1.509766
H 0.876485 -1.414464 0.797505
H 1.112847 0.345715 0.947602
H -0.740507 -2.960368 -0.635319
H -2.410824 -2.777864 -1.213069
H 2.682898 0.307047 -1.026634
H 2.461465 -1.449203 -1.171653
H -4.304244 0.856273 -0.808788
H -4.428147 0.074695 -2.400770
H -4.301854 -0.924965 -0.930767
H -3.261734 -3.870552 0.899292
H -1.596308 -4.044266 1.484875
H 3.640283 0.002483 1.295431
H 3.398755 -1.752388 1.171500
H 4.980504 -1.835278 -0.806358
H 5.222391 -0.079896 -0.690316
H -2.403285 -6.207143 0.453956
H -1.047568 -5.543623 -0.502379
H -2.724654 -5.369608 -1.090902
H 5.926088 -2.117581 1.528047
H 6.173888 -0.363891 1.638910
H 1.197923 4.443476 0.816360
H -0.317637 4.784015 -0.112896
H 7.535590 -2.225194 -0.445340
H 8.328864 -1.529325 0.997156
H 7.788255 -0.461430 -0.330069
H 1.743838 4.807655 -1.629616
H 0.583224 3.530415 -2.094516
H 2.072192 3.107050 -1.180162


