%chk=000271076.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271076

0 1
O -3.535083 1.073789 1.961225
O -3.535001 -1.074001 -1.961226
N -1.766558 1.777082 0.744465
N -1.766461 -1.777216 -0.744441
N -0.682081 2.613300 0.559800
N -0.681933 -2.613372 -0.559784
C -1.850777 0.702442 -0.320544
C -1.850728 -0.702574 0.320563
C -0.626284 1.033086 -1.207420
C -0.626203 -1.033138 1.207422
C -0.012593 2.243012 -0.513032
C -0.012453 -2.243034 0.513035
C -2.674144 1.923730 1.828922
C -2.674039 -1.923915 -1.828897
C 1.191285 2.922426 -1.000878
C 1.191464 -2.922381 1.000881
C -2.489327 3.111738 2.713768
C -2.489128 -3.111889 -2.713770
C 2.119876 2.232941 -1.800224
C 2.120109 -2.232788 1.800070
C 1.423291 4.270285 -0.673294
C 1.423451 -4.270280 0.673450
C 3.263027 2.886923 -2.264545
C 3.263296 -2.886706 2.264391
C 2.568786 4.917196 -1.142728
C 2.568982 -4.917126 1.142884
C 3.489343 4.228445 -1.938544
C 3.489594 -4.228270 1.938546
H -2.814846 0.825986 -0.888717
H -2.814779 -0.826177 0.888754
H -0.927950 1.277377 -2.242541
H 0.086648 0.192137 -1.277739
H -0.927835 -1.277432 2.242552
H 0.086682 -0.192146 1.277719
H -3.211872 3.092548 3.543580
H -2.631751 4.054286 2.161003
H -1.474703 3.159240 3.140091
H -2.631535 -4.054457 -2.161037
H -1.474482 -3.159334 -3.140049
H -3.211638 -3.092708 -3.543613
H 1.955945 1.187541 -2.057277
H 1.956191 -1.187355 2.056998
H 0.706716 4.808450 -0.050317
H 0.706833 -4.808525 0.050592
H 3.980692 2.349221 -2.882842
H 3.981004 -2.348922 2.882567
H 2.743572 5.961575 -0.887137
H 2.743753 -5.961537 0.887415
H 4.381133 4.735093 -2.304136
H 4.381412 -4.734867 2.304138


%chk=000271076-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271076

0 1
O -3.436984 1.085189 2.114130
O -3.437572 -1.086117 -2.113963
N -1.668570 1.745972 0.796216
N -1.668459 -1.745970 -0.796495
N -0.588958 2.609668 0.530311
N -0.588840 -2.609619 -0.530463
C -1.901491 0.725601 -0.284776
C -1.901496 -0.725564 0.284447
C -0.745773 1.049783 -1.273450
C -0.745851 -1.049677 1.273230
C -0.052031 2.250901 -0.630838
C -0.051991 -2.250767 0.630696
C -2.482013 1.900509 1.918188
C -2.481911 -1.900728 -1.918434
C 1.104596 2.950482 -1.202096
C 1.104649 -2.950254 1.202043
C -2.149867 3.058652 2.841707
C -2.150115 -3.059396 -2.841419
C 1.660234 2.519825 -2.439553
C 1.660200 -2.519507 2.439508
C 1.691663 4.067306 -0.537450
C 1.691806 -4.067082 0.537483
C 2.771962 3.185543 -2.997908
C 2.771933 -3.185142 2.997954
C 2.800239 4.727902 -1.097948
C 2.800387 -4.727593 1.098071
C 3.346880 4.291012 -2.331017
C 3.346941 -4.290614 2.331146
H -2.889919 0.896165 -0.740015
H -2.889956 -0.896144 0.739619
H -1.131759 1.285716 -2.280096
H -0.047146 0.199453 -1.389048
H -1.131903 -1.285608 2.279851
H -0.047275 -0.199310 1.388865
H -2.866018 3.052638 3.676506
H -2.208972 4.020069 2.302783
H -1.119263 2.975303 3.228185
H -2.208766 -4.020509 -2.301899
H -1.119737 -2.976102 -3.228504
H -2.866726 -3.053997 -3.675826
H 1.224980 1.664150 -2.967303
H 1.224876 -1.663828 2.967193
H 1.262153 4.398611 0.413273
H 1.262359 -4.398458 -0.413244
H 3.189164 2.843049 -3.951160
H 3.189068 -2.842580 3.951210
H 3.242170 5.585177 -0.578141
H 3.242386 -5.584873 0.578330
H 4.209775 4.808207 -2.764654
H 4.209839 -4.807745 2.764854


