%chk=000245558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245558

0 1
O -7.108017 -0.098609 0.315916
O 7.107999 -0.098626 -0.315922
O -5.600864 1.364719 -0.596357
O 5.600876 1.364750 0.596320
N -4.947136 -0.644549 0.453952
N 4.947108 -0.644530 -0.453951
C -0.735418 -0.595388 0.062751
C 0.735385 -0.595383 -0.062740
C -3.525903 -0.591607 0.300576
C 3.525873 -0.591586 -0.300567
C -1.391580 -1.659130 0.703092
C 1.391555 -1.659134 -0.703057
C -1.491396 0.468788 -0.456264
C 1.491353 0.468811 0.456250
C -2.779712 -1.666074 0.827284
C 2.779687 -1.666070 -0.827250
C -2.880124 0.477942 -0.343557
C 2.880082 0.477975 0.343542
C -8.233210 0.807512 -0.041826
C 8.233213 0.807472 0.041817
C -8.265200 1.937521 0.969556
C -9.423031 -0.132654 0.028107
C 9.423010 -0.132727 -0.028082
C 8.265246 1.937462 -0.969588
C -5.839076 0.330325 -0.009883
C 5.839065 0.330347 0.009853
H -0.809662 -2.484714 1.113848
H 0.809644 -2.484732 -1.113793
H -0.987729 1.295876 -0.959068
H 0.987679 1.295906 0.959034
H -3.271919 -2.495472 1.328935
H 3.271900 -2.495476 -1.328882
H -3.460017 1.311765 -0.754726
H 3.459963 1.311815 0.754693
H -8.035328 1.175403 -1.073461
H 8.035328 1.175389 1.073442
H -5.344351 -1.457763 0.933712
H 5.344314 -1.457759 -0.933692
H -8.268204 1.562586 2.000738
H -7.381763 2.586086 0.863205
H -9.152279 2.568212 0.842668
H -10.355685 0.388858 -0.215823
H -9.309500 -0.972111 -0.670865
H -9.534790 -0.569360 1.029907
H 9.534765 -0.569463 -1.029870
H 9.309452 -0.972163 0.670911
H 10.355676 0.388767 0.215840
H 8.268257 1.562507 -2.000763
H 7.381825 2.586052 -0.863262
H 9.152340 2.568133 -0.842699


%chk=000245558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245558

0 1
O -7.226929 -0.132840 0.254793
O 7.226916 -0.132879 -0.254789
O -5.709539 1.599612 -0.271377
O 5.709534 1.599588 0.271352
N -5.022020 -0.603679 0.281351
N 5.022005 -0.603710 -0.281336
C -0.742939 -0.540203 0.039076
C 0.742925 -0.540208 -0.039062
C -3.606497 -0.533611 0.187462
C 3.606483 -0.533633 -0.187449
C -1.464778 -1.711618 0.401368
C 1.464757 -1.711632 -0.401333
C -1.501830 0.628772 -0.244389
C 1.501822 0.628769 0.244382
C -2.868474 -1.712922 0.474629
C 2.868454 -1.712946 -0.474594
C -2.907791 0.648136 -0.174983
C 2.907783 0.648125 0.174976
C -8.378249 0.823479 0.099865
C 8.378240 0.823439 -0.099879
C -8.557930 1.607007 1.408021
C -9.578154 -0.049571 -0.273877
C 9.578142 -0.049611 0.273874
C 8.557922 1.606944 -1.408048
C -5.942988 0.408639 0.057395
C 5.942978 0.408608 -0.057398
H -0.921221 -2.626454 0.661930
H 0.921196 -2.626471 -0.661878
H -0.984748 1.542550 -0.557817
H 0.984745 1.542554 0.557794
H -3.395779 -2.629941 0.767457
H 3.395754 -2.629972 -0.767405
H -3.468539 1.556158 -0.405483
H 3.468535 1.556147 0.405459
H -8.112772 1.515953 -0.720703
H 8.112768 1.515926 0.720677
H -5.432086 -1.503645 0.540593
H 5.432067 -1.503682 -0.540563
H -8.751098 0.917636 2.249234
H -7.658668 2.205449 1.630945
H -9.416966 2.297327 1.319540
H -10.468844 0.584938 -0.432153
H -9.380475 -0.612686 -1.201883
H -9.803292 -0.770143 0.532214
H 9.803274 -0.770198 -0.532205
H 9.380464 -0.612708 1.201891
H 10.468836 0.584897 0.432136
H 8.751088 0.917558 -2.249250
H 7.658662 2.205384 -1.630982
H 9.416960 2.297264 -1.319579


