%chk=000298408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298408

0 1
O 2.727697 0.074728 2.632739
O -1.590400 3.699531 0.107609
N 4.294229 0.360961 -0.643090
N 1.249918 1.394680 0.217230
N -2.923373 0.361409 0.209844
N -3.584013 2.596980 -0.171888
C -1.667057 1.196581 0.142759
C 3.689229 0.983222 0.588677
C 3.390404 -1.518591 0.932361
C 2.607188 2.030426 0.236345
C -0.868831 1.005016 1.444033
C -0.795883 0.912558 -1.096056
C 2.661415 -1.552722 -0.425589
C 4.911011 -1.677649 0.720038
C 0.445098 1.797013 1.417955
C 0.511775 1.718989 -1.047516
C 3.278444 -0.483093 -1.358920
C 5.416938 -0.540139 -0.201318
C 3.173803 -0.122696 1.529198
C -2.204436 2.656782 0.049503
C -4.115662 1.213470 -0.132906
C -2.922549 -0.996691 -0.233073
C -3.981687 -1.530281 -0.995417
C -1.885782 -1.853191 0.203927
C -3.998965 -2.892731 -1.303835
C -1.919484 -3.206712 -0.117528
C -2.973180 -3.736004 -0.873298
H 4.516657 1.527410 1.120751
H 2.999228 -2.301971 1.614129
H 2.867035 2.485237 -0.746219
H 2.671314 2.859782 0.975055
H -0.647222 -0.079987 1.579279
H -1.474284 1.298171 2.322611
H -1.347285 1.142082 -2.026417
H -0.552067 -0.169542 -1.143314
H 1.583476 -1.344696 -0.274981
H 2.732565 -2.557260 -0.872676
H 5.122685 -2.664574 0.272787
H 5.438928 -1.663456 1.689468
H 0.228877 2.889972 1.444151
H 1.041475 1.546807 2.328922
H 1.158825 1.421361 -1.905673
H 0.290088 2.806542 -1.150386
H 2.488903 0.187152 -1.764221
H 3.772992 -0.953123 -2.232093
H 5.901800 -0.951947 -1.109558
H 6.185620 0.074392 0.308194
H -4.873630 1.084204 0.677410
H -4.579208 0.952986 -1.116308
H -4.200794 3.396323 -0.163950
H -4.789722 -0.897453 -1.353050
H -1.069259 -1.454023 0.815001
H -4.823958 -3.297114 -1.890489
H -1.119428 -3.861666 0.228104
H -2.992558 -4.794358 -1.117910


%chk=000298408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298408

0 1
O 2.894062 0.187982 2.812343
O -1.784929 3.822513 0.210942
N 4.145784 0.191767 -0.661718
N 1.249325 1.510675 0.172418
N -2.886455 0.430021 -0.305145
N -3.736299 2.544084 -0.068195
C -1.703029 1.320283 -0.089729
C 3.715208 0.910604 0.584116
C 3.617055 -1.550819 1.215724
C 2.642701 2.008152 0.356329
C -0.945167 0.992010 1.237232
C -0.737274 1.330974 -1.318716
C 2.716264 -1.809982 -0.033101
C 5.112399 -1.658266 0.783093
C 0.392225 1.745540 1.372649
C 0.585124 2.073203 -1.037501
C 3.087199 -0.757284 -1.139107
C 5.379886 -0.599099 -0.350635
C 3.346866 -0.120797 1.678615
C -2.369256 2.717656 0.039573
C -4.165835 1.163933 -0.273347
C -2.898622 -0.964135 -0.474195
C -4.147840 -1.644187 -0.641442
C -1.710524 -1.762027 -0.491374
C -4.199557 -3.041926 -0.816194
C -1.780965 -3.157580 -0.667200
C -3.019980 -3.818537 -0.831850
H 4.617028 1.449256 0.951190
H 3.383716 -2.253108 2.033565
H 2.963787 2.568014 -0.542504
H 2.690206 2.710883 1.214741
H -0.746388 -0.091764 1.280862
H -1.597028 1.236475 2.097386
H -1.252307 1.798383 -2.179422
H -0.506676 0.290968 -1.604233
H 1.651686 -1.717880 0.248843
H 2.887084 -2.847098 -0.380436
H 5.300466 -2.687528 0.422895
H 5.774186 -1.490701 1.652555
H 0.201401 2.835873 1.510251
H 0.926467 1.374368 2.263021
H 1.257903 1.940423 -1.905549
H 0.387538 3.163983 -0.921810
H 2.198405 -0.172695 -1.416148
H 3.477806 -1.251322 -2.047104
H 5.706218 -1.091683 -1.284007
H 6.176715 0.106575 -0.053763
H -4.821101 0.812822 0.555129
H -4.728416 1.050016 -1.226489
H -4.384817 3.328581 -0.010048
H -5.089932 -1.087464 -0.636960
H -0.727365 -1.304601 -0.365592
H -5.176020 -3.524715 -0.940581
H -0.848022 -3.733820 -0.672554
H -3.064009 -4.903898 -0.966422


