%chk=000181804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181804

0 1
O 0.746775 0.300806 1.553495
O -0.851659 -0.446542 0.041513
O 1.911470 -2.274238 -1.487177
O 3.033024 0.423198 -1.375556
O 1.306414 -2.754555 1.695958
O 1.739328 3.164726 1.378402
N -3.816879 -0.786696 1.655160
C 2.027611 -1.507729 -0.283875
C 1.904812 -0.003903 -0.620399
C 0.848270 -1.991023 0.589486
C 1.745426 0.843942 0.654906
C -0.013768 -0.825251 1.134495
C 1.324596 2.287266 0.331253
C -1.923191 0.479542 0.352542
C -2.375922 0.998429 -1.040034
C -3.041657 -0.106023 -1.858045
C -3.295830 2.204746 -0.854492
C -2.983719 -0.231998 1.081239
H 3.004506 -1.754628 0.188748
H 1.053662 0.155330 -1.335253
H 0.220603 -2.722293 0.009737
H 2.670643 0.845038 1.278928
H -0.586629 -1.081562 2.052668
H 0.234297 2.369942 0.178274
H 1.865864 2.677780 -0.556372
H -1.509125 1.303650 0.988157
H -1.445277 1.321280 -1.576352
H 2.471563 -1.876058 -2.196766
H 3.856845 0.411793 -0.840794
H 1.857863 -2.210979 2.303534
H -2.405874 -1.002676 -1.895818
H -4.008609 -0.411139 -1.439926
H -3.221358 0.214339 -2.890373
H -3.625711 2.595264 -1.826446
H -2.803561 3.028941 -0.327515
H -4.205465 1.947494 -0.296444
H 1.278563 2.933185 2.215742


%chk=000181804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181804

0 1
O 0.878230 0.286609 1.552262
O -0.812755 -0.347114 -0.076919
O 2.244112 -2.420239 -1.395499
O 3.306595 0.270535 -1.382238
O 1.176919 -2.845639 1.711246
O 1.247758 3.084338 1.395625
N -3.688675 -0.631371 1.872659
C 2.119930 -1.562232 -0.223192
C 2.072327 -0.080686 -0.648158
C 0.853641 -1.999269 0.558319
C 1.871477 0.845468 0.567137
C 0.021175 -0.789481 1.037688
C 1.413834 2.263483 0.196513
C -1.902352 0.587697 0.293514
C -2.529491 1.117969 -1.024526
C -3.135377 -0.020446 -1.872406
C -3.561151 2.227571 -0.715344
C -2.893438 -0.090622 1.166722
H 3.002981 -1.690764 0.450086
H 1.276672 0.060818 -1.396946
H 0.236580 -2.633860 -0.094529
H 2.810584 0.914084 1.155163
H -0.594324 -1.079580 1.909589
H 0.473781 2.208258 -0.392723
H 2.183700 2.763802 -0.413509
H -1.474819 1.437055 0.867295
H -1.681596 1.564944 -1.582632
H 2.929120 -2.016055 -1.991971
H 4.078143 0.241860 -0.756260
H 1.694693 -2.309310 2.366957
H -2.389604 -0.807879 -2.073427
H -3.998027 -0.482441 -1.357135
H -3.492224 0.376505 -2.839440
H -3.954788 2.647750 -1.657520
H -3.115642 3.057787 -0.135611
H -4.417917 1.826996 -0.142807
H 0.737829 2.542854 2.054615


