%chk=000236651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236651

0 1
O 0.501140 -1.681426 0.274658
N 4.316305 0.338313 -0.263101
N 1.963008 -0.250168 1.370656
N -0.270379 0.446744 0.783334
C 3.215245 1.347259 -0.113349
C 3.762698 -1.055702 -0.201308
C 2.521365 1.126929 1.247096
C 3.036233 -1.267686 1.141699
C 5.040801 0.550995 -1.551197
C 0.711457 -0.570207 0.735289
C -1.629776 0.300026 0.353783
C -2.495730 1.387990 0.585558
C -2.104311 -0.853473 -0.295681
C -4.304987 0.170207 -0.489177
C -3.823042 1.314883 0.162065
C -3.432565 -0.909009 -0.710753
C -5.726472 0.086384 -0.942156
H 2.469188 1.310486 -0.935837
H 3.673612 2.359557 -0.135051
H 4.615738 -1.764777 -0.271908
H 3.073949 -1.293665 -1.041639
H 3.263813 1.249804 2.073139
H 1.735081 1.890372 1.412461
H 2.589405 -2.288232 1.176715
H 3.750148 -1.182343 1.991525
H 4.426025 0.439223 -2.456525
H 5.877855 -0.164047 -1.611376
H 5.483071 1.560292 -1.552912
H -0.055106 1.311036 1.286293
H -2.144398 2.283651 1.090612
H -1.437267 -1.705687 -0.469560
H -4.487259 2.158509 0.343465
H -3.796738 -1.804991 -1.212877
H -6.256250 -0.732830 -0.434911
H -6.290483 1.006206 -0.742970
H -5.790673 -0.103223 -2.022960


%chk=000236651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236651

0 1
O 0.283076 -1.899729 0.148704
N 4.620863 0.381962 -0.055684
N 1.883548 -0.252749 0.577029
N -0.418653 0.320508 0.493762
C 3.550808 1.380346 -0.268921
C 4.098053 -0.991350 -0.269222
C 2.373946 1.132572 0.702938
C 2.942980 -1.276258 0.704780
C 5.822188 0.663659 -0.865678
C 0.559751 -0.680900 0.387359
C -1.815057 0.204889 0.238755
C -2.606166 1.371100 0.418702
C -2.447239 -0.995515 -0.184567
C -4.641974 0.154212 -0.247490
C -3.995423 1.340714 0.179777
C -3.836814 -1.001141 -0.421516
C -6.138879 0.115891 -0.505555
H 3.160158 1.352523 -1.319799
H 3.962514 2.390622 -0.084372
H 4.914956 -1.713401 -0.085168
H 3.737853 -1.136293 -1.319676
H 2.722316 1.319229 1.740057
H 1.582294 1.862663 0.462219
H 2.483787 -2.256032 0.499365
H 3.335939 -1.266664 1.741993
H 5.633264 0.625266 -1.968245
H 6.608466 -0.074832 -0.628295
H 6.211403 1.667928 -0.619406
H -0.126030 1.236918 0.832348
H -2.133788 2.307770 0.745193
H -1.844896 -1.896601 -0.310668
H -4.583568 2.254748 0.326646
H -4.308384 -1.936725 -0.748430
H -6.646142 -0.604728 0.163869
H -6.601652 1.105001 -0.343867
H -6.362796 -0.194203 -1.543835


