%chk=000245798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245798

0 1
O 0.785772 1.471075 -0.001285
O 5.718583 0.830797 0.004994
O 5.124099 -1.330442 0.003077
N -0.075593 -0.670777 -0.001359
C -1.479773 -0.365217 -0.003312
C -4.248272 0.095825 -0.009469
C -2.375137 -1.454763 -0.002774
C -1.968896 0.951124 -0.005838
C -3.748119 -1.216902 -0.005445
C -3.346211 1.170964 -0.008565
C -5.721295 0.342907 0.002195
C 0.967750 0.267962 -0.000671
C 2.335119 -0.354843 0.000882
C 3.421095 0.421756 0.001707
C 4.779360 -0.171315 0.003240
H -2.008728 -2.478567 -0.000395
H -1.278994 1.802423 -0.005809
H -4.437450 -2.060292 -0.003911
H -3.720340 2.194739 -0.009513
H 0.152778 -1.667021 -0.000708
H -5.990161 1.279744 -0.504362
H -6.283822 -0.459529 -0.493054
H -6.095816 0.413845 1.034501
H 2.405810 -1.447311 0.001249
H 3.372552 1.521899 0.001307
H 6.652391 0.480718 0.006018


%chk=000245798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245798

0 1
O 0.848960 1.626009 -0.004972
O 5.839064 0.722720 0.010678
O 5.031625 -1.462137 0.010191
N -0.061243 -0.550746 -0.004941
C -1.459913 -0.292282 -0.007434
C -4.297491 0.071964 -0.013029
C -2.333349 -1.413619 -0.007951
C -2.009205 1.018236 -0.013373
C -3.728314 -1.228772 -0.012117
C -3.410024 1.178412 -0.017760
C -5.802423 0.268941 0.015632
C 0.996118 0.364104 -0.003431
C 2.336250 -0.296408 0.001077
C 3.483474 0.437042 0.003890
C 4.806186 -0.225977 0.008632
H -1.920076 -2.430960 -0.009293
H -1.339060 1.879472 -0.018122
H -4.385504 -2.106441 -0.015364
H -3.822070 2.194743 -0.025647
H 0.199181 -1.540543 -0.003229
H -6.098001 1.204694 -0.490400
H -6.331238 -0.566791 -0.475647
H -6.176584 0.327592 1.056549
H 2.408917 -1.393559 0.002330
H 3.444964 1.530878 0.002783
H 6.716457 0.252227 0.013650


