%chk=000261923.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261923

0 1
O -2.747391 3.332387 0.748366
O -2.943160 1.970570 -1.128672
O 2.555015 3.236251 -1.335380
O 4.376316 -2.318319 1.090720
O -3.443474 -4.153244 -0.767334
O -3.505791 -3.747277 1.357362
N 2.664282 -0.557624 0.105786
N 3.769571 1.512412 -0.450532
N 5.063646 -0.235879 0.434267
N -3.035559 -3.603267 0.241441
C 0.035831 1.866966 -1.223579
C -0.753800 2.402076 -0.023428
C 1.328683 1.247499 -0.791589
C -2.119848 2.928925 -0.470642
C 1.421895 -0.021041 -0.309396
C 0.273082 -0.953749 -0.165453
C 2.544553 2.109571 -0.900584
C 3.799874 0.276587 0.010853
C -0.285862 -1.176513 1.102548
C -0.242114 -1.599572 -1.299796
C -4.007981 4.044629 0.584897
C -3.321418 0.791713 -0.365626
C -1.368595 -2.045411 1.240000
C -1.325012 -2.469697 -1.170256
C -1.880085 -2.684047 0.100326
C -4.582468 4.113228 1.987291
C -4.549876 0.255877 -1.077802
C 5.297214 -1.531674 0.964341
C 6.718981 -1.803234 1.327841
H -0.587090 1.143025 -1.791832
H 0.245159 2.700779 -1.935203
H -0.195933 3.222695 0.475383
H -0.880700 1.624834 0.753515
H -2.083784 3.747819 -1.219064
H 2.729648 -1.527821 0.467396
H 0.120475 -0.667435 1.979417
H 0.199421 -1.417918 -2.282615
H -4.647739 3.477238 -0.114678
H -3.778586 5.040905 0.169476
H -3.528983 1.090433 0.678110
H -2.469945 0.091211 -0.401071
H -1.821382 -2.232241 2.221238
H -1.744727 -2.982385 -2.044255
H 5.842934 0.435065 0.326947
H -4.799201 3.111029 2.378671
H -3.866455 4.573316 2.682641
H -5.507380 4.698962 2.013106
H -4.910169 -0.671531 -0.621040
H -5.370173 0.985646 -1.056253
H -4.339299 0.059133 -2.137655
H 7.400283 -1.736165 0.465031
H 6.820120 -2.827819 1.731857
H 7.099494 -1.119719 2.103106


%chk=000261923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261923

0 1
O -2.727678 3.749817 0.731513
O -3.160802 2.042447 -0.933028
O 2.140313 3.268044 -1.062985
O 4.381855 -2.339454 1.090805
O -3.245120 -4.714991 -1.341760
O -2.723089 -5.134605 0.839883
N 2.619752 -0.608877 0.102382
N 3.532138 1.589346 -0.205546
N 4.890800 -0.108374 0.648263
N -2.573274 -4.482195 -0.264219
C -0.194634 1.664389 -1.171652
C -0.850896 2.459102 -0.009114
C 1.141113 1.089056 -0.758883
C -2.207383 3.042457 -0.426046
C 1.349659 -0.227576 -0.369986
C 0.331571 -1.317111 -0.352902
C 2.279166 2.062718 -0.698001
C 3.632217 0.324451 0.161162
C 0.132055 -2.080258 0.831224
C -0.424075 -1.633739 -1.514675
C -3.880571 4.626045 0.419159
C -3.522316 0.975309 0.027820
C -0.818728 -3.116998 0.869943
C -1.375924 -2.669136 -1.493529
C -1.564649 -3.392708 -0.295942
C -4.334100 5.263901 1.730744
C -4.733397 0.244828 -0.552568
C 5.229250 -1.387654 1.089674
C 6.662111 -1.554957 1.559152
H -0.900198 0.892538 -1.516319
H -0.021436 2.364790 -2.010201
H -0.195211 3.295574 0.287323
H -0.989063 1.812340 0.877409
H -2.103897 3.725401 -1.295742
H 2.860221 -1.577317 0.393808
H 0.705766 -1.843984 1.733860
H -0.244150 -1.082406 -2.442295
H -4.686196 4.022568 -0.044099
H -3.558120 5.396838 -0.313619
H -3.751565 1.429402 1.011817
H -2.668111 0.276493 0.155646
H -0.994433 -3.704939 1.774360
H -1.962482 -2.929183 -2.378241
H 5.586244 0.643909 0.651987
H -4.646801 4.488784 2.451880
H -3.512583 5.845113 2.183870
H -5.188517 5.942480 1.553453
H -5.042747 -0.581764 0.113489
H -5.584906 0.937147 -0.670620
H -4.495718 -0.177589 -1.544708
H 7.375227 -1.333718 0.744273
H 6.808911 -2.592966 1.888610
H 6.886897 -0.875590 2.401369


