%chk=000183345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183345

0 1
O 3.715056 -0.123075 -1.146785
O 3.623155 0.732316 0.950029
O -3.015757 -2.562826 -0.494486
N -0.670906 0.678031 0.724285
N -4.816071 -1.292315 -0.959472
C 0.768475 0.442010 0.977490
C 1.575924 0.326366 -0.327034
C -3.294642 1.154611 -0.430499
C -2.718438 -0.215595 -0.204491
C -1.471376 -0.396701 0.308253
C -1.098539 2.007324 0.417205
C -2.317382 2.245892 -0.095619
C 3.050947 0.352267 -0.044615
C -3.488507 -1.430255 -0.544531
C 5.177726 -0.199076 -1.095352
C 5.601426 -1.397114 -0.273574
H 1.173595 1.271728 1.607000
H 0.885487 -0.485252 1.585848
H 1.303855 -0.595716 -0.888316
H 1.323788 1.155179 -1.026814
H -4.206979 1.288018 0.193217
H -3.614484 1.261310 -1.490933
H -1.059490 -1.407489 0.460493
H -0.387769 2.796698 0.670525
H -2.662022 3.259040 -0.285480
H 5.413742 -0.299380 -2.170893
H 5.563563 0.753832 -0.692139
H -5.351538 -2.122591 -1.160880
H -5.316829 -0.426570 -0.951774
H 6.681845 -1.571251 -0.345607
H 5.361663 -1.256033 0.791341
H 5.093678 -2.313482 -0.601991


%chk=000183345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183345

0 1
O 3.836806 -0.173668 -1.174453
O 3.646005 0.886883 0.897590
O -3.038545 -2.655033 -0.340777
N -0.659316 0.703617 0.518008
N -4.869121 -1.332672 -0.865807
C 0.769098 0.495776 0.807061
C 1.636496 0.484241 -0.478487
C -3.450652 1.146848 -0.350467
C -2.797452 -0.230257 -0.191825
C -1.490406 -0.367899 0.210338
C -1.180176 2.012429 0.383930
C -2.461156 2.254626 -0.008598
C 3.118678 0.434021 -0.147304
C -3.543646 -1.487276 -0.459954
C 5.321932 -0.276794 -0.989273
C 5.680510 -1.545852 -0.212190
H 1.128321 1.292592 1.481382
H 0.887252 -0.460965 1.346159
H 1.373693 -0.360214 -1.137620
H 1.446358 1.410802 -1.055657
H -4.348091 1.234279 0.305172
H -3.828623 1.288555 -1.389749
H -1.071499 -1.375219 0.308089
H -0.486155 2.820041 0.636087
H -2.800151 3.293967 -0.070550
H 5.707036 -0.297730 -2.021031
H 5.673314 0.629632 -0.465802
H -5.403917 -2.178291 -1.056892
H -5.316177 -0.425025 -0.971271
H 6.780005 -1.653397 -0.163026
H 5.294142 -1.496683 0.819531
H 5.268632 -2.441434 -0.708212


