%chk=000257109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257109

0 1
O -0.171999 -0.491109 2.223962
O 4.197241 -0.177824 -0.004457
O 2.572044 -0.863419 2.862276
O 4.645170 -2.133907 1.067306
N 1.621197 -0.407054 0.773870
C -0.588165 0.378954 -0.021522
C -1.283184 1.660290 0.400129
C -1.603186 -0.641518 -0.501083
C 0.242132 -0.199589 1.132325
C -1.935617 1.769765 1.635653
C -1.774273 -0.830298 -1.880978
C -1.284648 2.748139 -0.487016
C -2.379182 -1.378563 0.404324
C -2.579182 2.960507 1.982717
C -2.713042 -1.754658 -2.347473
C -1.932083 3.935384 -0.134978
C -3.314321 -2.302570 -0.068511
C -2.579530 4.044719 1.099787
C -3.483213 -2.493120 -1.443627
C 2.645573 -0.799178 1.668863
C 3.953611 -1.169000 0.907637
C 5.412358 -0.265123 -0.824372
C 5.229851 -1.300600 -1.910986
H 0.092127 0.627533 -0.882599
H -1.934176 0.927849 2.334395
H -1.187229 -0.255499 -2.593791
H -0.789640 2.673396 -1.452726
H -2.250577 -1.234992 1.480987
H 1.906019 -0.210645 -0.197432
H -3.081571 3.041181 2.946220
H -2.845190 -1.898143 -3.418845
H -1.932169 4.777225 -0.825636
H -3.913330 -2.874973 0.639263
H -3.082190 4.970783 1.372506
H -4.213020 -3.213231 -1.809208
H 6.262860 -0.489329 -0.156064
H 5.472666 0.771276 -1.205304
H 6.078317 -1.301040 -2.607838
H 5.157804 -2.315944 -1.489924
H 4.320147 -1.126076 -2.498149


%chk=000257109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257109

0 1
O -0.370619 -1.089937 2.050275
O 3.901564 -0.188425 -0.228307
O 2.416556 -1.675351 2.689158
O 5.029682 -1.273278 1.514219
N 1.540344 -0.545173 0.790922
C -0.677153 0.167000 -0.056776
C -1.184296 1.532112 0.452213
C -1.802792 -0.740749 -0.578723
C 0.141859 -0.558851 1.039148
C -1.602805 1.744606 1.790187
C -1.732314 -1.242704 -1.902003
C -1.266586 2.606002 -0.470980
C -2.907066 -1.096980 0.235167
C -2.093004 3.008208 2.191009
C -2.747822 -2.084581 -2.409941
C -1.760014 3.866869 -0.070733
C -3.919478 -1.940949 -0.270144
C -2.175537 4.072743 1.265187
C -3.845785 -2.436566 -1.593234
C 2.557753 -1.085608 1.599813
C 3.975990 -0.880893 0.987764
C 5.200745 0.068009 -0.940728
C 5.582615 -1.130671 -1.810875
H -0.008528 0.370544 -0.915783
H -1.533743 0.930618 2.519722
H -0.881160 -0.974243 -2.541334
H -0.954184 2.450699 -1.511437
H -2.967922 -0.723986 1.261524
H 1.877073 -0.086895 -0.063541
H -2.408865 3.159580 3.229227
H -2.681362 -2.463219 -3.436073
H -1.819129 4.685017 -0.797341
H -4.766941 -2.212792 0.368978
H -2.556037 5.050787 1.579915
H -4.634931 -3.089614 -1.982288
H 5.968566 0.278399 -0.176161
H 4.993880 0.972409 -1.534015
H 6.500229 -0.892656 -2.379809
H 5.786259 -2.019806 -1.191505
H 4.783359 -1.370076 -2.532993


