%chk=000244806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244806

0 1
O 5.961047 1.088648 0.491301
N -4.988540 -0.825854 -0.143029
N -5.515231 1.576647 -0.056044
N -7.230996 -0.056089 -0.237667
C 3.533011 0.606964 0.176229
C 2.913969 -0.708396 -0.392763
C 1.525426 -0.974069 0.207213
C 0.591331 0.204905 -0.182399
C 4.991277 0.523818 -0.413038
C 2.642192 1.768119 -0.294474
C -0.844455 0.025114 0.412209
C 4.017374 -1.761397 -0.187066
C 1.200521 1.570632 0.207827
C 5.333553 -0.991927 -0.422468
C 0.936108 -2.288215 -0.327985
C 3.637044 0.615251 1.709075
C -1.386820 -1.375614 0.118635
C -0.451179 -2.542846 0.263520
C -1.750712 1.115539 -0.236192
C 5.174677 1.190432 -1.774108
C -0.864479 0.183101 1.943752
C -2.689851 -1.601143 -0.139985
C -3.213736 0.834057 -0.136328
C -3.665355 -0.513058 -0.152537
C -4.184107 1.842632 -0.074445
C -5.876112 0.239914 -0.125328
H 2.782818 -0.578661 -1.498164
H 1.604108 -1.032427 1.319032
H 0.486806 0.187562 -1.297304
H 2.642147 1.837397 -1.398307
H 3.033986 2.733726 0.071747
H 3.912413 -2.607545 -0.883068
H 3.983244 -2.185454 0.830703
H 1.179514 1.686890 1.310020
H 0.570309 2.386958 -0.193113
H 6.073756 -1.199562 0.373816
H 5.813004 -1.289716 -1.367098
H 1.605927 -3.134455 -0.083376
H 0.875701 -2.261757 -1.433407
H 3.926014 1.601690 2.084199
H 2.688386 0.340007 2.182370
H 4.401236 -0.090248 2.061353
H -0.362357 -2.778993 1.347752
H -0.884254 -3.455749 -0.196816
H -1.496443 1.209627 -1.315843
H -1.514064 2.098644 0.217578
H 6.219508 1.104392 -2.102124
H 4.548606 0.725554 -2.542789
H 4.938044 2.258395 -1.748270
H -0.493484 1.166298 2.253675
H -1.885869 0.084029 2.332818
H -0.243497 -0.571588 2.437480
H 5.818189 2.043231 0.610299
H -3.089884 -2.600709 -0.322053
H -3.911913 2.904503 -0.032670
H -7.523309 -1.007863 -0.070270
H -7.894998 0.667358 -0.003474


%chk=000244806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244806

0 1
O 6.071940 1.275261 0.236111
N -5.023861 -0.808824 -0.334573
N -5.590921 1.569639 -0.086781
N -7.247951 -0.068929 -0.367155
C 3.596416 0.616841 0.209548
C 2.943357 -0.701922 -0.311271
C 1.547327 -0.984961 0.284334
C 0.606854 0.223318 -0.031520
C 5.009478 0.547025 -0.503243
C 2.666513 1.793400 -0.173513
C -0.871253 0.036356 0.499510
C 4.062698 -1.762163 -0.142698
C 1.236409 1.583121 0.393662
C 5.384539 -0.970731 -0.415011
C 0.946225 -2.286662 -0.289321
C 3.823217 0.595790 1.746695
C -1.401422 -1.362414 0.105732
C -0.466471 -2.545437 0.279696
C -1.763947 1.148660 -0.146052
C 5.013540 1.058781 -1.960390
C -0.958413 0.136735 2.055722
C -2.708924 -1.562241 -0.250428
C -3.249791 0.864662 -0.100550
C -3.696551 -0.483035 -0.244782
C -4.254656 1.847969 -0.017314
C -5.910020 0.240750 -0.260182
H 2.782592 -0.566555 -1.405794
H 1.641383 -1.105633 1.384425
H 0.523517 0.244513 -1.144450
H 2.598172 1.874798 -1.276677
H 3.067818 2.758985 0.199604
H 3.940696 -2.614589 -0.833985
H 4.052788 -2.173779 0.884778
H 1.266405 1.656443 1.496624
H 0.596012 2.414173 0.042910
H 6.119757 -1.097907 0.397893
H 5.872872 -1.301478 -1.348884
H 1.602093 -3.146111 -0.053443
H 0.896537 -2.208711 -1.395458
H 4.253037 1.555765 2.082747
H 2.883077 0.432688 2.300016
H 4.536337 -0.190445 2.044922
H -0.362503 -2.760885 1.365601
H -0.917176 -3.447443 -0.174304
H -1.460490 1.251111 -1.211334
H -1.554219 2.122177 0.335525
H 6.018649 0.905759 -2.391798
H 4.284069 0.522194 -2.593697
H 4.778429 2.139266 -2.017201
H -0.636784 1.133022 2.408149
H -2.001440 -0.015266 2.386816
H -0.329726 -0.621375 2.555713
H 5.922365 2.249488 0.123706
H -3.085059 -2.569434 -0.465249
H -3.998350 2.907581 0.108933
H -7.522130 -1.039711 -0.487062
H -7.933460 0.679068 -0.316647


