%chk=000245029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245029

0 1
O 4.898635 0.656958 -1.112859
O -4.898023 0.659465 1.112873
O 0.984567 -0.722028 1.454965
O -0.984613 -0.721887 -1.455086
N 1.670771 -0.960270 -0.730330
N -1.670915 -0.959278 0.730286
C 3.651020 0.488754 -0.360115
C -3.650609 0.490596 0.359939
C 3.694187 1.314133 -1.623190
C -3.693223 1.316237 1.622875
C 3.116642 -0.942800 -0.428632
C -3.116814 -0.941194 0.428642
C 3.612794 1.132426 0.991977
C -3.612380 1.134007 -0.992297
C 0.731178 -0.818388 0.264827
C -0.731256 -0.818142 -0.264930
H 3.723400 2.400066 -1.575851
H 3.336423 0.919872 -2.569815
H -3.335497 0.922011 2.569529
H -3.722032 2.402173 1.575354
H 3.304968 -1.463627 0.543736
H 3.665303 -1.519631 -1.210222
H -3.305455 -1.462128 -0.543616
H -3.665678 -1.517636 1.210371
H 3.721331 2.223121 0.945054
H 2.667815 0.908846 1.517983
H 4.431875 0.762248 1.627062
H -2.667642 0.909871 -1.518506
H -4.431802 0.764128 -1.627115
H -3.720362 2.224765 -0.945553
H 1.391612 -0.956602 -1.713935
H -1.391720 -0.955568 1.713880


%chk=000245029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245029

0 1
O 5.325800 0.312075 -0.643174
O -5.325473 0.314735 0.642907
O 0.834615 -0.832583 1.599609
O -0.834833 -0.832369 -1.599567
N 1.704456 -0.866814 -0.589654
N -1.704696 -0.865940 0.589697
C 3.819641 0.461736 -0.534396
C -3.819236 0.463644 0.534174
C 4.495354 0.640890 -1.863024
C -4.494924 0.643356 1.862739
C 3.129441 -0.875930 -0.236333
C -3.129684 -0.874416 0.236371
C 3.341734 1.666017 0.254557
C -3.340706 1.667552 -0.254969
C 0.697596 -0.847322 0.334298
C -0.697824 -0.847067 -0.334254
H 4.639725 1.654403 -2.257536
H 4.451939 -0.158492 -2.615248
H -4.451932 -0.155919 2.615100
H -4.638820 1.657007 2.257070
H 3.198579 -1.094068 0.844289
H 3.647439 -1.681379 -0.787802
H -3.198930 -1.092722 -0.844209
H -3.648076 -1.679507 0.787991
H 3.947517 2.555259 0.012461
H 2.283830 1.887553 0.023234
H 3.419301 1.475412 1.339503
H -2.282713 1.888634 -0.023617
H -3.418288 1.476782 -1.339884
H -3.946087 2.557124 -0.013078
H 1.399315 -0.874009 -1.571160
H -1.399563 -0.873145 1.571206


