%chk=000231597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231597

0 1
O 2.779844 2.702293 0.259260
O 0.518117 -2.953243 -0.639745
O 2.313125 -1.779722 -0.385232
O -4.008630 1.078181 0.548450
O -3.693973 -1.059431 0.704234
N 1.101605 -1.896006 -0.490331
N -3.319101 0.076600 0.477855
C 0.776399 0.616882 -0.692451
C 2.171587 0.879768 -1.149537
C 0.271701 -0.673400 -0.415466
C -0.088528 1.721658 -0.539085
C -1.073421 -0.855755 -0.043792
C -1.902955 0.258016 0.082627
C -1.411090 1.558385 -0.154632
C 2.988020 1.549828 -0.033233
C 4.017579 0.690131 0.614270
H 2.690035 -0.039591 -1.508454
H 2.165745 1.560765 -2.032969
H 0.312562 2.730392 -0.707020
H -1.467045 -1.870404 0.145636
H -2.080142 2.421552 -0.033102
H 4.339297 1.100188 1.584201
H 3.660865 -0.341972 0.784037
H 4.921403 0.603586 -0.008421


%chk=000231597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231597

0 1
O 2.532513 1.560256 1.428141
O 0.460033 -2.977889 -0.106410
O 2.312685 -1.664524 0.012934
O -4.265862 1.135387 0.144155
O -3.896947 -1.076030 0.575991
N 1.034927 -1.825704 -0.107187
N -3.498178 0.103335 0.243242
C 0.709526 0.651931 -0.614296
C 2.166593 0.919225 -0.913109
C 0.175082 -0.616719 -0.239006
C -0.211782 1.730158 -0.682423
C -1.194151 -0.814700 0.032615
C -2.052389 0.291961 -0.049777
C -1.579970 1.574578 -0.401376
C 3.030669 1.106435 0.370847
C 4.496480 0.746618 0.226953
H 2.624474 0.123145 -1.521857
H 2.252291 1.866441 -1.482539
H 0.167576 2.719120 -0.957893
H -1.574056 -1.803034 0.302581
H -2.279060 2.413376 -0.448522
H 5.068191 1.107294 1.095486
H 4.582663 -0.354624 0.163941
H 4.921691 1.162665 -0.705392