%chk=000192008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192008

0 1
O -3.862384 -1.234056 1.608238
O 0.175109 2.012835 -0.416712
O -2.209302 0.727872 2.486214
O 1.716678 2.918161 0.960343
O 4.347420 -2.459389 -2.139620
N -0.530075 0.043150 1.092354
C -4.351156 -0.804977 -1.337505
C -3.427477 0.041401 -0.434741
C -2.849316 -0.792882 0.714256
C 0.471657 0.934605 1.702094
C 1.728917 0.151460 2.134407
C -1.857047 0.074063 1.518466
C -3.541678 -1.769665 -2.212085
C -5.218221 0.112087 -2.208149
C 2.435934 -0.522226 0.992857
C 0.883756 2.066999 0.751161
C 2.144473 -1.860503 0.672605
C 3.395957 0.179138 0.247391
C 2.793230 -2.496400 -0.381808
C 4.062562 -0.435861 -0.813696
C 3.748836 -1.769303 -1.112296
C 0.455065 3.059662 -1.416111
C -0.398792 2.663140 -2.599849
H -5.023963 -1.406240 -0.671020
H -2.612821 0.492383 -1.033285
H -3.999021 0.895812 -0.018325
H -2.401449 -1.751665 0.361879
H 0.009796 1.428215 2.615563
H 1.433759 -0.594029 2.904998
H 2.419898 0.851162 2.657455
H -0.249876 -0.413067 0.226007
H -4.202068 -2.375086 -2.844034
H -2.952737 -2.465954 -1.605820
H -2.853235 -1.239741 -2.877962
H -5.849010 0.768078 -1.598318
H -4.612834 0.747898 -2.862200
H -5.886914 -0.471833 -2.851042
H -4.193041 -0.479263 2.161501
H 1.405886 -2.409784 1.258383
H 3.623203 1.219842 0.495617
H 2.586191 -3.531314 -0.645256
H 4.806500 0.108279 -1.386326
H 1.538713 3.045559 -1.624248
H 0.169125 4.025855 -0.965946
H -0.121448 1.671918 -2.983816
H -1.462904 2.614218 -2.329707
H -0.294416 3.383284 -3.421235
H 5.025924 -1.914936 -2.608477


%chk=000192008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192008

0 1
O -3.368595 -2.061368 1.367298
O 0.452838 2.188327 -0.792875
O -1.751954 -0.372992 2.635617
O 1.623108 3.222480 0.937402
O 4.538484 -2.502016 -1.782406
N -0.720716 0.416939 0.707454
C -4.689729 -0.982151 -1.093098
C -3.643234 -0.208714 -0.248897
C -2.650612 -1.140858 0.494397
C 0.247905 1.247292 1.435429
C 1.406482 0.407896 2.091720
C -1.660921 -0.331312 1.361332
C -4.041428 -1.713824 -2.292680
C -5.795868 -0.015849 -1.576744
C 2.257359 -0.349433 1.087853
C 0.843240 2.330789 0.537294
C 1.884962 -1.648621 0.648740
C 3.435338 0.226221 0.546359
C 2.648876 -2.349446 -0.305620
C 4.214304 -0.462774 -0.409334
C 3.814790 -1.751879 -0.836975
C 1.038701 3.164560 -1.768620
C 0.448521 2.836160 -3.134881
H -5.143496 -1.740191 -0.425194
H -3.083287 0.487341 -0.910082
H -4.165166 0.406338 0.510951
H -2.081633 -1.748654 -0.237610
H -0.281639 1.751169 2.267409
H 0.916511 -0.280876 2.802218
H 2.020469 1.117460 2.674569
H -0.672425 0.430234 -0.313986
H -4.808531 -2.243009 -2.887501
H -3.302379 -2.468661 -1.967723
H -3.530232 -0.996182 -2.965133
H -6.299868 0.476958 -0.724550
H -5.373800 0.776182 -2.226743
H -6.565296 -0.554529 -2.160411
H -3.169639 -1.759625 2.302429
H 0.993677 -2.125014 1.073747
H 3.752528 1.221072 0.881163
H 2.369612 -3.353555 -0.638081
H 5.128914 -0.003587 -0.807602
H 2.136879 3.049933 -1.738503
H 0.784345 4.182892 -1.425111
H 0.703854 1.807189 -3.440647
H -0.649974 2.940362 -3.128386
H 0.855935 3.531885 -3.890715
H 5.350191 -2.015660 -2.071072


