%chk=000230568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230568

0 1
O 2.541886 -1.109103 0.664334
O -4.158059 0.510609 -1.268378
N -1.055486 -0.279193 0.555974
C 1.165178 0.765813 0.342805
C 0.968332 -0.240212 -0.848118
C 2.557006 0.340031 0.891079
C 2.278810 -1.074819 -0.778779
C -0.001598 0.480037 1.311048
C -0.303707 -1.040767 -0.499326
C 3.655516 0.794954 -0.109573
C 3.460861 -0.201476 -1.283670
C -2.090665 0.627299 -0.030958
C -3.366487 -0.206475 -0.303184
C -4.171299 -0.487946 0.957152
H 1.158908 1.815947 0.006446
H 0.861457 0.276655 -1.816775
H 2.750603 0.504460 1.952489
H 2.236148 -2.107490 -1.129455
H 0.326070 -0.190999 2.137961
H -0.400423 1.397541 1.775246
H -0.926874 -1.245668 -1.387279
H -0.042775 -2.023251 -0.044948
H 4.656447 0.694922 0.337535
H 3.542483 1.840823 -0.422891
H 3.243817 0.304617 -2.233252
H 4.360961 -0.815607 -1.440116
H -2.318077 1.443898 0.684355
H -1.774279 1.121157 -0.974791
H -3.129677 -1.144553 -0.857232
H -5.068185 -1.076518 0.731911
H -4.491726 0.424755 1.467844
H -3.562802 -1.061304 1.673178
H -4.606561 1.275061 -0.867032


%chk=000230568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230568

0 1
O 2.601217 -1.090692 0.716259
O -4.194433 0.759982 -1.279198
N -1.078757 -0.304118 0.604684
C 1.133353 0.742140 0.369781
C 0.941191 -0.312084 -0.795886
C 2.564011 0.400947 0.869180
C 2.292342 -1.077610 -0.751572
C -0.008975 0.389043 1.379031
C -0.303264 -1.153529 -0.349629
C 3.623272 0.868639 -0.168463
C 3.432999 -0.187297 -1.320418
C -2.042610 0.609125 -0.067217
C -3.380784 -0.100875 -0.389166
C -4.153674 -0.512840 0.870846
H 1.056494 1.784918 0.014855
H 0.776175 0.166237 -1.777132
H 2.775401 0.646508 1.920221
H 2.266239 -2.117187 -1.109545
H 0.389208 -0.322329 2.127857
H -0.416175 1.266589 1.909314
H -0.935103 -1.470817 -1.196378
H 0.043293 -2.056075 0.188158
H 4.637931 0.809513 0.259294
H 3.447712 1.905794 -0.504736
H 3.160259 0.275535 -2.285235
H 4.350274 -0.781405 -1.467467
H -2.250243 1.454635 0.619943
H -1.655777 1.044711 -1.019128
H -3.182207 -0.989379 -1.014651
H -5.066501 -1.074218 0.606354
H -4.449561 0.379189 1.459872
H -3.508676 -1.140390 1.510108
H -4.568826 1.500538 -0.736335


