%chk=000211112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211112

0 1
O 0.029082 0.210537 1.004673
O 3.055745 2.817150 1.792812
N -2.669856 -0.868890 -1.138535
C -2.152965 0.075519 -0.098330
C -3.158367 -0.135328 -2.354372
C -3.742117 -1.755127 -0.568573
C -1.111293 -0.661917 0.754711
C -1.975661 0.394577 -3.164397
C -3.904151 -2.999458 -1.442211
C 0.982335 0.379853 0.027271
C 2.041259 1.247703 0.370565
C 0.924522 -0.255626 -1.225579
C 2.187873 1.974586 1.666330
C 3.048269 1.454203 -0.592613
C 1.237888 1.620820 2.786427
C 1.943901 -0.030788 -2.146180
C 3.009559 0.824682 -1.834383
C 1.589966 2.324893 4.088744
H -1.657779 0.944698 -0.594658
H -2.947030 0.511820 0.542265
H -3.853865 0.694441 -2.102942
H -3.734976 -0.853468 -2.981426
H -4.717835 -1.233828 -0.459173
H -3.436495 -2.068253 0.453971
H -1.450160 -0.842977 1.790835
H -0.770219 -1.608596 0.297063
H -2.316337 0.880703 -4.084486
H -1.294118 -0.419125 -3.445586
H -1.380868 1.124563 -2.600555
H -4.564540 -3.731479 -0.966015
H -2.934388 -3.484232 -1.620112
H -4.323029 -2.759514 -2.426505
H 0.089696 -0.911826 -1.478556
H 3.873020 2.132245 -0.339408
H 0.200722 1.875407 2.470913
H 1.223727 0.517946 2.927652
H 1.911112 -0.523636 -3.118862
H 3.801278 0.996987 -2.559126
H 2.578666 2.017671 4.453983
H 0.856201 2.111873 4.871776
H 1.638228 3.414191 3.950091


%chk=000211112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211112

0 1
O -0.129365 0.283187 1.130340
O 3.474488 2.412591 1.885110
N -2.663766 -0.830258 -1.243173
C -2.321580 0.080543 -0.117517
C -3.294098 -0.094954 -2.380804
C -3.514795 -1.969021 -0.780275
C -1.316945 -0.563158 0.875562
C -2.302403 0.763600 -3.187382
C -3.488306 -3.175194 -1.737127
C 0.879635 0.342688 0.153869
C 2.071005 1.073642 0.471393
C 0.737691 -0.297555 -1.106478
C 2.362405 1.811450 1.759840
C 3.097366 1.117221 -0.514862
C 1.348134 1.844566 2.901480
C 1.780615 -0.230051 -2.051806
C 2.970799 0.477145 -1.759413
C 1.831278 2.654659 4.115481
H -1.854505 0.990199 -0.531423
H -3.236229 0.414174 0.431944
H -4.141298 0.542644 -2.019854
H -3.734659 -0.847412 -3.058337
H -4.570955 -1.636529 -0.612281
H -3.133464 -2.299375 0.204128
H -1.751020 -0.678166 1.881629
H -0.991489 -1.552989 0.501682
H -2.825652 1.251308 -4.030549
H -1.491151 0.136342 -3.595716
H -1.840010 1.561576 -2.579789
H -4.081765 -4.008315 -1.317420
H -2.450514 -3.521264 -1.885434
H -3.912184 -2.933727 -2.727988
H -0.190907 -0.821806 -1.362606
H 4.000247 1.678106 -0.250738
H 0.391234 2.238656 2.506434
H 1.108033 0.799785 3.181143
H 1.656974 -0.728636 -3.020207
H 3.781075 0.529856 -2.493622
H 2.769450 2.239775 4.522603
H 1.065313 2.645218 4.912328
H 2.038320 3.702479 3.837336


