%chk=000298931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298931

0 1
O 1.182494 1.608788 -1.425789
O 6.936035 0.227283 1.022165
O 5.716928 2.013633 0.938878
O -7.084392 0.465445 0.817268
O -5.866605 2.165377 0.259179
N 5.892556 0.816680 0.794308
N -6.035872 0.975001 0.459846
C 2.463469 -0.127688 -0.454029
C -2.551402 -0.234061 -0.341940
C 3.542746 0.648053 -0.013884
C -3.650974 0.618631 -0.154575
C 1.179103 0.565304 -0.808684
C -1.266268 0.341781 -0.766157
C 4.748433 0.009739 0.308611
C 2.603424 -1.515661 -0.593647
C -4.874990 0.073858 0.252617
C -2.702855 -1.616717 -0.131092
C -0.069745 -0.091196 -0.342845
C 4.897170 -1.380299 0.175178
C 3.817720 -2.137261 -0.282427
C -5.030849 -1.304151 0.466023
C -3.934483 -2.144896 0.267289
H 3.451676 1.740154 0.073751
H -3.563137 1.700575 -0.314997
H -1.334848 1.187657 -1.469639
H 1.766404 -2.115940 -0.957253
H -1.853805 -2.284888 -0.287740
H 0.044348 -0.901839 0.375608
H 5.854328 -1.852117 0.427837
H 3.923505 -3.216922 -0.398845
H -6.002078 -1.702136 0.781852
H -4.041037 -3.219683 0.424931


%chk=000298931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298931

0 1
O 1.160787 1.832949 -0.173078
O 7.306645 0.267791 0.141214
O 6.007219 2.134352 0.311816
O -7.396242 0.416469 -0.100108
O -6.012629 2.210637 -0.363277
N 6.161765 0.863926 0.165668
N -6.225367 0.952349 -0.177516
C 2.516354 -0.154366 -0.112663
C -2.614426 -0.218331 0.002538
C 3.681101 0.643462 0.023287
C -3.755037 0.620663 -0.121710
C 1.186306 0.561660 -0.111255
C -1.284491 0.398465 -0.084011
C 4.940471 0.022413 0.014748
C 2.657570 -1.560479 -0.263253
C -5.042287 0.057549 -0.043372
C -2.821125 -1.615946 0.207820
C -0.069283 -0.230991 -0.026483
C 5.096259 -1.374260 -0.134026
C 3.936487 -2.161383 -0.277547
C -5.253169 -1.322576 0.158315
C -4.119459 -2.155981 0.284140
H 3.585705 1.728165 0.127850
H -3.650922 1.698868 -0.278375
H -1.253608 1.491134 -0.208702
H 1.777893 -2.198537 -0.389736
H -1.960038 -2.283986 0.313037
H 0.000132 -1.316131 0.098769
H 6.099437 -1.808273 -0.137103
H 4.028813 -3.244748 -0.402172
H -6.272857 -1.712156 0.213308
H -4.255005 -3.230204 0.443675


