%chk=000266943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266943

0 1
O 3.959925 -1.216859 0.703657
O -3.962050 1.218530 -0.703726
N 3.725600 0.978724 0.035273
N -3.727814 -0.977346 -0.036249
C 0.725502 0.125582 -0.207158
C -0.727684 -0.123912 0.206647
C 1.694651 -0.336363 0.891777
C -1.696826 0.338013 -0.892295
C 3.100228 -0.080467 0.508875
C -3.102386 0.081971 -0.509455
C 5.215119 -0.763909 0.300038
C -5.217226 0.765503 -0.300217
C 5.086503 0.598662 -0.120246
C -5.088687 -0.597261 0.119503
C 6.418852 -1.459484 0.283123
C -6.420923 1.461124 -0.282933
C 6.210427 1.292377 -0.576881
C -6.212613 -1.291099 0.575919
C 7.524430 -0.742089 -0.177821
C -7.526519 0.743605 0.177792
C 7.421983 0.600916 -0.597359
C -7.424133 -0.599570 0.596767
H 0.953799 -0.403256 -1.154455
H 0.890275 1.203846 -0.417896
H -0.955981 0.404949 1.153937
H -0.892449 -1.202166 0.417428
H 1.553645 -1.420781 1.108119
H 1.474249 0.192797 1.848570
H -1.476319 -0.191047 -1.849127
H -1.555900 1.422459 -1.108558
H 6.487240 -2.493129 0.608282
H -6.489289 2.494911 -0.607649
H 6.129847 2.328744 -0.899608
H -6.132080 -2.327600 0.898223
H 8.497854 -1.232430 -0.215661
H -8.499903 1.234007 0.215898
H 8.319971 1.110144 -0.947334
H -8.322120 -1.108896 0.946599


%chk=000266943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266943

0 1
O 4.120301 -1.377881 0.811008
O -4.122417 1.379703 -0.811015
N 3.666061 0.498541 -0.476537
N -3.668240 -0.497472 0.475453
C 0.733558 0.190915 -0.138561
C -0.735698 -0.189243 0.138408
C 1.710657 -0.821835 0.496167
C -1.712791 0.823453 -0.496411
C 3.142641 -0.492591 0.224777
C -3.144784 0.494118 -0.225183
C 5.356965 -0.830384 0.396198
C -5.359096 0.832096 -0.396395
C 5.077937 0.319534 -0.394919
C -5.080107 -0.318286 0.394061
C 6.649972 -1.286016 0.677817
C -6.652087 1.287977 -0.677688
C 6.136379 1.069505 -0.945593
C -6.138571 -1.068483 0.944382
C 7.704954 -0.524384 0.118397
C -7.707093 0.526109 -0.118634
C 7.452690 0.629465 -0.676655
C -7.454866 -0.628199 0.675763
H 0.920733 0.240937 -1.228072
H 0.950810 1.201923 0.255969
H -0.922889 -0.239206 1.227921
H -0.952934 -1.200275 -0.256068
H 1.502613 -1.843669 0.119416
H 1.556489 -0.870947 1.592835
H -1.558507 0.872533 -1.593068
H -1.504855 1.845314 -0.119680
H 6.836129 -2.172952 1.288903
H -6.838213 2.175255 -1.288287
H 5.937673 1.955469 -1.555120
H -5.939896 -1.954805 1.553399
H 8.739581 -0.832283 0.303360
H -8.741708 0.834174 -0.303384
H 8.300438 1.187355 -1.088216
H -8.302631 -1.186264 1.087053


