%chk=000182298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182298

0 1
O -3.904428 -0.315467 -0.716165
N -0.995307 -0.028965 -0.472894
C -1.947424 0.547872 0.529391
C 0.404103 0.184493 -0.169443
C 1.242936 -0.875950 0.245452
C 0.952197 1.473878 -0.385124
C 0.721303 -2.274357 0.455166
C -3.265130 0.867838 -0.219806
C -2.212566 -0.386233 1.713867
C 2.608322 -0.634641 0.453930
C 2.317314 1.686814 -0.151360
C 3.141384 0.640365 0.266827
C 0.114019 2.612120 -0.872819
C 0.766503 -3.081467 -0.842316
H -1.526893 1.514519 0.915434
H -1.195544 -1.027734 -0.614547
H 1.320241 -2.790380 1.234965
H -0.311450 -2.258749 0.859987
H -4.022924 1.286078 0.468514
H -3.088657 1.565367 -1.057456
H -1.281639 -0.719240 2.185299
H -2.781861 -1.272924 1.401422
H -2.810247 0.110034 2.486725
H 3.257977 -1.450650 0.765419
H 2.742333 2.676885 -0.306333
H 4.200574 0.819230 0.440939
H 0.711456 3.380099 -1.380388
H -0.645502 2.267719 -1.593286
H -0.414788 3.102039 -0.044424
H 0.193253 -2.599089 -1.642968
H 0.362164 -4.089220 -0.699568
H 1.795782 -3.184511 -1.209037
H -3.395298 -0.676469 -1.471006


%chk=000182298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182298

0 1
O -3.531876 -0.061360 -1.214740
N -0.972421 -0.176621 -0.182678
C -1.999978 0.531857 0.649906
C 0.424313 0.127443 -0.075170
C 1.352441 -0.914204 0.263245
C 0.903652 1.446218 -0.363825
C 0.896698 -2.350496 0.500017
C -3.164203 0.997615 -0.269484
C -2.512170 -0.390395 1.779479
C 2.731283 -0.607714 0.344726
C 2.290613 1.708216 -0.251570
C 3.208133 0.698283 0.106799
C -0.017792 2.545962 -0.862734
C 0.659004 -3.143852 -0.816166
H -1.520937 1.417222 1.104389
H -1.153140 -1.185500 -0.188003
H 1.670790 -2.877660 1.087542
H -0.023992 -2.379107 1.118473
H -4.074383 1.196975 0.320498
H -2.878871 1.920357 -0.813969
H -1.674958 -0.766459 2.395100
H -3.061037 -1.251013 1.351664
H -3.208757 0.152909 2.443850
H 3.434624 -1.406709 0.610744
H 2.653468 2.718899 -0.475920
H 4.277321 0.922553 0.184302
H 0.565464 3.333888 -1.369469
H -0.753319 2.141412 -1.581610
H -0.589149 3.036897 -0.051188
H -0.110254 -2.670272 -1.454481
H 0.333637 -4.178356 -0.601559
H 1.588821 -3.190174 -1.410508
H -2.690820 -0.277512 -1.703266


