%chk=000233399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233399

0 1
O 3.304414 -0.765099 -0.791138
O -3.331263 -0.705661 0.750696
O 2.637815 -1.785508 0.990453
O -2.645623 -1.838558 -0.952723
N 2.481772 -0.994043 0.077954
N -2.495030 -0.993359 -0.087931
C -0.008651 1.857722 0.005901
C -1.226024 1.151061 -0.037119
C 1.216503 1.156650 0.030408
C -0.002633 -0.995388 -0.027126
C 1.198473 -0.256027 0.024108
C -1.206093 -0.266990 -0.052179
C 0.004955 3.354690 0.031922
C -2.536496 1.857085 -0.084386
C 2.522739 1.869217 0.084751
C 0.044907 -2.479431 -0.050922
H 0.495340 3.734316 0.940677
H 0.535216 3.766751 -0.839525
H -1.007598 3.791552 0.017854
H -3.189966 1.553748 0.757402
H -2.443436 2.954796 -0.028970
H -3.092416 1.634056 -1.008884
H 3.001975 1.757291 1.071184
H 3.238327 1.474379 -0.663556
H 2.454214 2.947744 -0.110719
H 0.584974 -2.856997 -0.937008
H 0.571599 -2.883061 0.836014
H -0.937393 -2.977537 -0.086542


%chk=000233399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233399

0 1
O 3.368675 -0.713687 -0.833617
O -3.256685 -0.934149 0.908135
O 2.652253 -1.898599 0.977527
O -2.737595 -1.706533 -1.174215
N 2.484234 -1.006629 0.060508
N -2.474099 -1.022088 -0.113382
C -0.005210 1.853653 0.003696
C -1.239987 1.141219 -0.044211
C 1.234745 1.149150 0.051028
C 0.007223 -1.039461 -0.033592
C 1.195850 -0.268777 0.027575
C -1.185508 -0.278226 -0.062547
C 0.008968 3.373025 0.014249
C -2.560429 1.889804 -0.109700
C 2.539427 1.918138 0.150217
C 0.022857 -2.556289 -0.039611
H 0.230019 3.763453 1.027204
H 0.785677 3.771608 -0.661073
H -0.955026 3.800727 -0.296702
H -2.669306 2.567531 0.755922
H -2.610446 2.510357 -1.023290
H -3.432970 1.222419 -0.107479
H 3.366598 1.307195 0.540443
H 2.856327 2.279911 -0.846159
H 2.424154 2.797924 0.804461
H 0.813148 -2.945504 -0.703959
H 0.241747 -2.939821 0.971948
H -0.934041 -2.972952 -0.382781


