%chk=000185178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185178

1 1
O 2.780550 -3.544520 0.212259
O -6.109109 -0.168288 0.934617
N 1.365800 1.612989 -0.632927
N -1.171095 -1.109331 -1.323536
C 1.053502 0.122743 -0.971738
C 2.877319 1.856925 -0.679438
C 1.878562 -0.822513 -0.094376
C 3.390305 -0.577777 -0.203727
C 3.688131 0.886004 0.208038
C 0.822092 1.981781 0.755974
C -0.406295 -0.096807 -0.738357
C -0.706475 1.849377 0.859259
C 0.728798 2.504229 -1.682826
C -1.207567 0.669236 0.116120
C 4.161262 -1.578163 0.674971
C 5.148936 1.224451 0.032391
C -2.528991 0.119062 0.078787
C -2.480632 -0.998995 -0.820195
C 4.107399 -3.004365 0.114884
C -3.744380 0.460802 0.713638
C 5.884193 1.794929 0.982842
C -3.625796 -1.790957 -1.096281
C -4.845470 -0.326261 0.427921
C -4.797880 -1.451304 -0.472950
C -6.341432 0.914811 1.870194
H 1.321546 -0.029171 -2.052798
H 3.090158 2.908187 -0.375373
H 3.222179 1.766769 -1.737017
H 1.543283 -0.783330 0.962053
H 1.661191 -1.885192 -0.388373
H 3.710710 -0.727038 -1.265698
H 3.395875 1.024752 1.279707
H 1.134253 3.019955 1.005402
H 1.305006 1.306671 1.503615
H -1.214703 2.771122 0.498009
H -0.990397 1.770791 1.935867
H 1.152547 2.324419 -2.686207
H -0.364812 2.320244 -1.758927
H 0.861078 3.573963 -1.444477
H 3.773525 -1.566523 1.712062
H 5.224364 -1.265498 0.758144
H -0.832582 -1.836136 -1.925922
H 5.573470 0.957340 -0.937839
H 4.308835 -3.041002 -0.973503
H 4.818574 -3.670847 0.635611
H -3.784351 1.303541 1.391679
H 6.935978 2.030874 0.852020
H 5.518327 2.070546 1.963287
H -3.564650 -2.636273 -1.779675
H -5.722524 -2.011249 -0.632126
H 2.605628 -3.873941 1.117444
H -5.735629 0.777177 2.769905
H -7.410656 0.785097 2.094143
H -6.158351 1.879194 1.388945


%chk=000185178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185178

1 1
O 2.922932 -3.686807 -0.015281
O -6.231577 -0.154790 0.956088
N 1.347224 1.616255 -0.610213
N -1.192362 -1.131603 -1.240760
C 1.026097 0.112673 -0.921280
C 2.877633 1.844275 -0.624396
C 1.887474 -0.845542 -0.070165
C 3.410854 -0.594415 -0.168247
C 3.709252 0.877350 0.251836
C 0.763126 2.014106 0.770092
C -0.450597 -0.077500 -0.701483
C -0.776879 1.950396 0.802438
C 0.747774 2.507375 -1.696697
C -1.273084 0.704941 0.113696
C 4.216279 -1.626373 0.660399
C 5.169381 1.262070 0.063567
C -2.597141 0.118798 0.077852
C -2.515601 -1.035308 -0.772448
C 4.251037 -3.037924 0.038166
C -3.834195 0.466856 0.688926
C 5.955832 1.814310 1.019092
C -3.637946 -1.855875 -1.028186
C -4.950071 -0.356856 0.431037
C -4.850052 -1.505476 -0.419298
C -6.435178 0.993624 1.842809
H 1.303314 -0.007547 -1.989807
H 3.040335 2.892862 -0.320696
H 3.188338 1.736071 -1.680233
H 1.559626 -0.800797 0.986595
H 1.673612 -1.878230 -0.400681
H 3.720769 -0.701959 -1.233050
H 3.449458 1.013020 1.321010
H 1.137630 3.030326 0.982404
H 1.196232 1.316158 1.502041
H -1.214517 2.864098 0.351766
H -1.079440 1.968077 1.867539
H 1.241708 2.277608 -2.653357
H -0.328364 2.306537 -1.780672
H 0.924749 3.561386 -1.430985
H 3.816996 -1.680641 1.694269
H 5.263815 -1.275460 0.745717
H -0.835691 -1.874071 -1.840091
H 5.588627 1.066884 -0.936589
H 4.577342 -2.983855 -1.015437
H 4.971997 -3.675137 0.587153
H -3.909407 1.344255 1.337516
H 7.001048 2.072659 0.819362
H 5.585309 2.016638 2.032145
H -3.577721 -2.735888 -1.676388
H -5.754732 -2.099591 -0.576253
H 2.744839 -4.151615 0.839358
H -5.803192 0.916982 2.749239
H -7.495978 0.952198 2.127440
H -6.227315 1.946972 1.318643


