%chk=000259328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259328

0 1
O 2.415246 -0.439325 0.101636
O 2.614183 1.511427 -1.060907
O -7.445406 1.837219 -0.121958
N -3.081410 -1.357136 0.004089
C -1.703440 -0.997703 0.020015
C 1.024094 -0.536109 0.014611
C -0.885908 -1.630736 0.983037
C -1.138041 -0.146707 -0.947720
C 0.483253 -1.392211 0.990878
C 0.238345 0.086441 -0.957907
C -4.069717 -0.521302 0.038499
C 4.583241 0.394283 -0.187829
C 3.145692 0.610076 -0.464386
C -3.995855 0.959093 0.159415
C -5.434019 -1.114592 -0.038187
C 5.481693 1.404393 -0.573659
C 5.052911 -0.773317 0.432758
C -5.091782 1.723368 0.124971
C -6.529606 -0.348869 -0.076359
C 6.847121 1.241652 -0.334936
C 6.421240 -0.928080 0.667070
C -6.459346 1.139283 -0.035871
C 7.316102 0.077126 0.284507
H -1.334538 -2.303128 1.716145
H -1.767837 0.317066 -1.707240
H 1.137779 -1.857809 1.726142
H 0.684651 0.749591 -1.704007
H -2.997116 1.386393 0.290171
H -5.477826 -2.209013 -0.069558
H 5.103989 2.308975 -1.058500
H 4.345496 -1.553103 0.727813
H -5.062783 2.811708 0.213866
H -7.538814 -0.761655 -0.141467
H 7.547466 2.021807 -0.631877
H 6.790638 -1.833186 1.148077
H 8.383904 -0.046916 0.469168


%chk=000259328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259328

0 1
O 2.432714 -0.427256 0.142128
O 2.732303 1.465330 -1.231344
O -7.568722 1.898306 -0.206938
N -3.133597 -1.376565 0.133738
C -1.775328 -1.022223 0.110217
C 1.020220 -0.538650 0.061381
C -0.881549 -1.830915 0.878189
C -1.219113 0.000766 -0.720252
C 0.495557 -1.574710 0.875174
C 0.167479 0.240876 -0.760930
C -4.151935 -0.514405 0.075256
C 4.657670 0.373400 -0.209377
C 3.212747 0.563011 -0.508758
C -4.066143 0.949556 0.235844
C -5.486877 -1.100165 -0.109959
C 5.571877 1.293780 -0.789053
C 5.138848 -0.675787 0.618131
C -5.189806 1.733834 0.157054
C -6.608642 -0.317808 -0.220865
C 6.953090 1.165666 -0.543180
C 6.522702 -0.798593 0.860643
C -6.531030 1.156685 -0.109071
C 7.431404 0.119493 0.282080
H -1.302984 -2.642018 1.478829
H -1.873828 0.570417 -1.388171
H 1.184267 -2.172039 1.479471
H 0.580386 1.010958 -1.412440
H -3.094070 1.393975 0.474734
H -5.525937 -2.191866 -0.186130
H 5.179557 2.095191 -1.423653
H 4.428942 -1.380067 1.059111
H -5.149775 2.818442 0.309034
H -7.602180 -0.746358 -0.390692
H 7.655627 1.876169 -0.991265
H 6.894004 -1.607635 1.498599
H 8.505724 0.020208 0.472965


