%chk=000244088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244088

0 1
O -3.772001 -0.478462 -1.423503
O -4.918056 -1.165044 1.302929
O -1.185905 0.198952 -1.505682
O 1.129426 0.465931 1.924975
O 2.839951 2.474316 -0.429518
N 5.573629 -1.745336 0.073744
C -0.929921 0.064178 0.866974
C 1.129034 0.815717 -0.435737
C 0.498721 0.448407 0.885474
C -1.729261 -0.040524 -0.278751
C -3.101134 -0.398647 -0.204580
C -1.542564 -0.230944 2.114140
C -3.660959 -0.729278 1.039615
C -2.861634 -0.624873 2.210472
C 2.560220 1.305464 -0.334485
C 3.603832 0.232949 -0.186500
C 4.375750 -0.137925 -1.293570
C 3.820790 -0.380446 1.049404
C -4.426023 0.772445 -1.793323
C 5.349912 -1.134800 -1.119217
C 4.819444 -1.365641 1.136997
C -5.812478 -1.451687 0.191752
H 1.060759 -0.052225 -1.132691
H 0.510102 1.605589 -0.930113
H -0.922830 -0.145399 3.018195
H -3.314492 -0.868209 3.171578
H 4.238331 0.338932 -2.261077
H 3.224513 -0.100489 1.925284
H -1.857725 -0.015882 -2.234971
H -3.697959 1.585484 -1.849484
H -5.215380 1.009145 -1.073830
H -4.841874 0.532691 -2.778079
H 5.981333 -1.462981 -1.953032
H 5.030706 -1.875015 2.084979
H -5.291411 -1.997107 -0.604166
H -6.227021 -0.509807 -0.178727
H -6.578527 -2.070480 0.675425


%chk=000244088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244088

0 1
O -3.912680 -0.362099 -1.439303
O -5.003602 -0.568245 1.318916
O -1.342932 0.180840 -1.811383
O 1.241586 0.950192 1.547911
O 3.141052 2.253855 -1.148664
N 5.595318 -1.905880 0.474744
C -0.894617 0.387026 0.609625
C 1.223263 0.797763 -0.880256
C 0.562273 0.718500 0.502544
C -1.770331 0.133684 -0.482939
C -3.143755 -0.161065 -0.257931
C -1.455057 0.331378 1.921696
C -3.656948 -0.266248 1.055382
C -2.799735 0.010283 2.150846
C 2.716892 1.115623 -0.802983
C 3.679809 0.050276 -0.346773
C 5.056715 0.374114 -0.234685
C 3.283974 -1.274738 -0.034970
C -5.002894 0.634966 -1.634694
C 5.965970 -0.621609 0.176062
C 4.267244 -2.207414 0.364624
C -5.497209 -1.857651 0.771510
H 1.027355 -0.135407 -1.441029
H 0.729014 1.597420 -1.461052
H -0.775270 0.537865 2.754331
H -3.212969 -0.050292 3.161351
H 5.387346 1.390813 -0.467226
H 2.237378 -1.589398 -0.090730
H -2.137020 -0.052279 -2.375041
H -4.578181 1.651871 -1.718996
H -5.711331 0.594255 -0.789819
H -5.499304 0.345655 -2.572700
H 7.034536 -0.401692 0.275224
H 3.992600 -3.239035 0.611928
H -4.984048 -2.695864 1.277357
H -5.333744 -1.921238 -0.318729
H -6.571401 -1.877227 1.006756


