%chk=000214440.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214440

0 1
O 0.272998 -1.632323 0.457996
N -4.434242 -0.687574 0.034322
N -0.107655 0.569492 0.051559
C -5.485927 0.216211 -0.528748
C -6.866612 -0.482957 -0.531247
C -5.663477 1.461878 0.373270
C -7.895709 0.645299 -0.347207
C -7.154488 1.833470 0.300323
C -3.051656 -0.250320 -0.317209
C -2.073368 -0.989927 0.616990
C -0.676410 -0.586618 0.357910
C 1.514292 -1.023820 0.190778
C 1.285276 0.318658 -0.069951
C 2.666961 -1.903415 0.270980
C 2.215328 1.386180 -0.433911
C 3.910623 -1.396071 0.686735
C 2.539465 -3.264859 -0.057337
C 3.298855 1.118006 -1.288215
C 2.021019 2.687193 0.060965
C 5.016565 -2.245391 0.759401
C 3.651266 -4.105901 0.020096
C 4.185986 2.141296 -1.628926
C 2.914116 3.703920 -0.284711
C 4.890075 -3.598137 0.425718
C 3.997894 3.433177 -1.126394
H -5.238185 0.545360 -1.569158
H -6.939131 -1.203709 0.304865
H -7.038725 -1.050249 -1.457353
H -5.016368 2.291010 0.051327
H -5.369874 1.221028 1.412765
H -8.739457 0.312182 0.279008
H -8.327496 0.941514 -1.318527
H -7.303533 2.753110 -0.289898
H -7.552305 2.044622 1.307074
H -4.585560 -1.650965 -0.281657
H -2.955855 0.848650 -0.153224
H -2.782768 -0.436001 -1.379226
H -2.340981 -0.768086 1.679434
H -2.180726 -2.092416 0.516062
H 4.008814 -0.342936 0.954974
H 1.569916 -3.655701 -0.367414
H 3.441588 0.115219 -1.690111
H 1.166296 2.896894 0.706207
H 5.980247 -1.851757 1.080325
H 3.552167 -5.159933 -0.235517
H 5.024299 1.932104 -2.291308
H 2.762661 4.710911 0.100844
H 5.755466 -4.256313 0.484132
H 4.691639 4.227797 -1.393712


%chk=000214440-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214440

0 1
O 0.340662 -1.864675 0.280068
N -4.450113 -0.693020 0.119555
N -0.130415 0.349105 0.030210
C -5.509713 0.189929 -0.420522
C -6.924781 -0.365355 -0.135843
C -5.550041 1.585762 0.258578
C -7.859334 0.852839 -0.359102
C -7.001678 2.109028 0.025794
C -3.066575 -0.280387 -0.202428
C -2.068793 -1.259368 0.452190
C -0.647286 -0.851125 0.238945
C 1.583550 -1.185432 0.090156
C 1.280384 0.169498 -0.089607
C 2.781244 -2.023923 0.191926
C 2.127000 1.333392 -0.413799
C 4.016567 -1.495452 0.662779
C 2.709879 -3.407655 -0.137438
C 3.347195 1.211494 -1.134239
C 1.682854 2.631175 -0.037521
C 5.150897 -2.324722 0.777115
C 3.847072 -4.232569 -0.018370
C 4.114049 2.354412 -1.443431
C 2.453298 3.771649 -0.345377
C 5.075193 -3.695594 0.433941
C 3.675983 3.639632 -1.044916
H -5.400646 0.338711 -1.526849
H -6.954629 -0.697792 0.920221
H -7.189438 -1.229775 -0.773717
H -4.787536 2.281380 -0.134452
H -5.348918 1.437087 1.336726
H -8.784143 0.776684 0.239600
H -8.165369 0.908767 -1.420613
H -7.030529 2.861376 -0.783250
H -7.390425 2.602779 0.934233
H -4.616035 -1.670662 -0.164726
H -2.891359 0.731511 0.201255
H -2.863482 -0.224745 -1.300539
H -2.294296 -1.311864 1.535772
H -2.206701 -2.283667 0.054159
H 4.080888 -0.443233 0.957085
H 1.758836 -3.825350 -0.482557
H 3.684894 0.226791 -1.473537
H 0.726943 2.724919 0.487001
H 6.092379 -1.902876 1.146041
H 3.775676 -5.294362 -0.278996
H 5.048202 2.243158 -2.005450
H 2.099279 4.763615 -0.042933
H 5.958574 -4.337018 0.525252
H 4.274040 4.525727 -1.285289


