%chk=000247092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247092

0 1
O -1.332939 -1.517740 1.804387
O -1.171044 -2.114697 -0.381861
O -1.489899 0.320484 -2.334254
O -2.419395 3.360073 1.016530
O 4.692498 -0.033941 0.170682
N -1.472639 1.205988 1.131237
N -2.097415 2.034388 -0.904650
C -0.965854 0.203524 0.132840
C -1.716225 -1.123506 0.478660
C 0.540059 0.153952 0.120125
C -1.512138 0.770561 -1.225193
C -2.024970 2.346280 0.496109
C 1.238301 -0.990269 0.554391
C 1.263669 1.275240 -0.316339
C 2.626738 -1.015108 0.557782
C 2.658889 1.275773 -0.323105
C 3.329195 0.124351 0.114375
C -2.409372 -1.609566 2.758757
C -1.864595 -3.381303 -0.362108
C 5.524814 1.062693 -0.280913
H -2.813442 -1.030640 0.369549
H -0.981973 1.280517 2.020545
H -2.549933 2.644407 -1.580340
H 0.680068 -1.875246 0.890123
H 0.740223 2.169440 -0.659603
H 3.179670 -1.891934 0.888074
H 3.198157 2.151622 -0.666797
H -1.885841 -1.906906 3.677130
H -3.127532 -2.376359 2.457515
H -2.889802 -0.634205 2.887046
H -1.823800 -3.815168 0.641378
H -1.273443 -3.976184 -1.071536
H -2.890996 -3.260989 -0.717677
H 5.363505 1.944718 0.345077
H 5.338950 1.270229 -1.338650
H 6.532910 0.653322 -0.132088


%chk=000247092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247092

0 1
O -1.525098 -1.567969 1.797554
O -0.950441 -2.006265 -0.479635
O -1.541492 0.714579 -2.169297
O -2.588508 3.196038 1.695946
O 4.831439 0.140048 0.368524
N -1.410630 1.146143 1.381969
N -2.219332 2.165168 -0.432900
C -0.940945 0.294452 0.259372
C -1.627150 -1.112591 0.399589
C 0.593763 0.232069 0.199697
C -1.575190 1.042568 -0.961136
C -2.113946 2.273257 0.991550
C 1.299921 -0.505016 1.191211
C 1.335840 0.940930 -0.769228
C 2.702573 -0.513975 1.217686
C 2.749571 0.941417 -0.753798
C 3.436076 0.215370 0.247377
C -2.818800 -1.771575 2.467043
C -1.595416 -3.320641 -0.598775
C 5.635299 0.871093 -0.614381
H -2.711347 -1.030748 0.141524
H -1.095045 0.999981 2.338735
H -2.729093 2.848566 -0.993081
H 0.741881 -1.091543 1.927954
H 0.824656 1.482698 -1.570854
H 3.253748 -1.082512 1.972860
H 3.291549 1.496162 -1.525196
H -2.577322 -2.156996 3.469947
H -3.441911 -2.514282 1.930223
H -3.379711 -0.821466 2.562072
H -1.551678 -3.867684 0.361272
H -1.021982 -3.862515 -1.364808
H -2.650454 -3.216272 -0.927968
H 5.436153 1.959320 -0.567356
H 5.447259 0.503517 -1.641780
H 6.680159 0.672476 -0.334714


