%chk=000257825.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257825

0 1
O 6.549556 -1.832923 0.188636
O -6.547453 -1.836311 -0.175594
N 6.057376 0.417559 0.048277
N -6.057134 0.415697 -0.054737
C 0.361797 0.336630 -0.682423
C -0.361520 0.345410 0.676601
C 1.853009 0.342473 -0.495205
C -1.852726 0.348593 0.489342
C 2.556821 1.554725 -0.434390
C -2.557447 1.559718 0.417974
C 2.558504 -0.864238 -0.369248
C -2.557310 -0.859717 0.373918
C 4.637371 0.348221 -0.132501
C -4.637081 0.349052 0.126625
C 3.939417 1.567841 -0.255519
C -3.940063 1.570220 0.239014
C 3.940776 -0.871276 -0.189541
C -3.939558 -0.869377 0.194279
C 6.932791 -0.681048 0.198371
C -6.931646 -0.684883 -0.195306
C 8.374032 -0.283538 0.370111
C -8.373213 -0.290065 -0.370496
H 0.037534 1.209058 -1.285387
H 0.044801 -0.550321 -1.269106
H -0.037282 1.225585 1.268195
H -0.044514 -0.533872 1.274730
H 2.020855 2.498467 -0.527528
H -2.022227 2.504661 0.502860
H 2.022999 -1.812994 -0.411753
H -2.021059 -1.807645 0.424729
H 4.465438 2.517677 -0.212822
H -4.466799 2.519252 0.188055
H 4.477501 -1.821854 -0.093825
H -4.475576 -1.821151 0.106850
H 6.450648 1.359692 0.067114
H -6.451164 1.357315 -0.081741
H 8.766177 0.266134 -0.495248
H 8.996231 -1.188580 0.480731
H 8.539656 0.325931 1.267794
H -8.765830 0.266738 0.490077
H -8.994661 -1.196544 -0.473299
H -8.539325 0.311487 -1.273413


%chk=000257825-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257825

0 1
O 6.726122 -1.875110 0.231836
O -6.724130 -1.879181 -0.210379
N 6.131480 0.389387 0.031449
N -6.131253 0.388139 -0.038533
C 0.371288 0.321880 -0.692986
C -0.370859 0.334443 0.685818
C 1.882856 0.321756 -0.535870
C -1.882440 0.331306 0.528787
C 2.616015 1.535460 -0.491779
C -2.616622 1.543706 0.469341
C 2.605426 -0.888860 -0.384128
C -2.604016 -0.881759 0.392439
C 4.718460 0.314377 -0.151411
C -4.718126 0.316652 0.144881
C 4.011566 1.537474 -0.303215
C -4.012232 1.542152 0.281002
C 4.002820 -0.911824 -0.193813
C -4.001392 -0.908308 0.202642
C 7.047091 -0.649919 0.208425
C -7.046061 -0.654076 -0.202204
C 8.497318 -0.197314 0.377269
C -8.496762 -0.204766 -0.375718
H 0.042214 1.204352 -1.274499
H 0.041525 -0.572153 -1.255787
H -0.041903 1.227410 1.251132
H -0.040985 -0.549162 1.264839
H 2.089350 2.490075 -0.613292
H -2.090706 2.500221 0.578520
H 2.064478 -1.842888 -0.421954
H -2.062322 -1.834818 0.442239
H 4.556625 2.490772 -0.278705
H -4.558038 2.494630 0.244452
H 4.547385 -1.850897 -0.082401
H -4.545169 -1.849179 0.103206
H 6.518810 1.335465 0.032012
H -6.519456 1.333781 -0.050761
H 9.113420 -0.674643 -0.404020
H 8.872471 -0.554980 1.351745
H 8.638360 0.896432 0.322320
H -9.111784 -0.671970 0.412529
H -8.872575 -0.575787 -1.344921
H -8.638546 0.889521 -0.335307


