%chk=000203415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203415

0 1
O -0.180291 -0.006589 -1.933789
N 3.131495 0.140979 0.697699
C 0.780084 0.653771 0.113158
C -0.510257 0.051800 -0.529001
C 2.002963 -0.240045 -0.212794
C -0.792527 -1.364568 -0.023199
C -1.760328 0.907549 -0.320310
C 1.016733 2.078954 -0.389792
C 4.463671 -0.007944 0.022182
C 3.093270 -0.669489 1.952424
C -1.263874 -1.576101 1.279833
C -1.962948 1.620674 0.869963
C -0.563877 -2.466985 -0.859050
C -2.742503 0.958527 -1.320686
C 4.689451 1.140001 -0.979930
C -1.513880 -2.873812 1.735526
C -3.126147 2.374206 1.052248
C -0.816754 -3.763061 -0.402738
C -3.904208 1.712423 -1.138860
C 5.000411 2.462242 -0.283845
C -1.293788 -3.969569 0.895430
C -4.099433 2.422382 0.049811
H 0.632666 0.673500 1.220846
H 1.734963 -1.314467 -0.134271
H 2.284864 -0.076528 -1.277271
H 0.252575 2.778176 -0.039894
H 1.018046 2.112352 -1.487257
H 1.994364 2.445087 -0.043835
H 4.575067 -0.984225 -0.496168
H 5.257366 0.026531 0.800193
H -0.973728 -0.207026 -2.477053
H 3.285299 -1.743858 1.816347
H 3.837607 -0.267169 2.657741
H 2.105180 -0.557086 2.426221
H -1.445511 -0.731758 1.943224
H -1.210282 1.599641 1.658387
H -0.172842 -2.309080 -1.865924
H -2.596103 0.408239 -2.251812
H 5.518266 0.866173 -1.660289
H 3.791783 1.261727 -1.621470
H -1.883380 -3.029860 2.747575
H -3.272467 2.926767 1.979137
H -0.639365 -4.613016 -1.059313
H -4.657925 1.745712 -1.923878
H 5.952301 2.424381 0.255322
H 5.051748 3.288885 -0.999044
H 4.219348 2.701961 0.452313
H -1.491941 -4.978681 1.250590
H -5.003959 3.009777 0.193402


%chk=000203415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203415

0 1
O -0.153159 0.206512 -1.972243
N 3.167491 0.264199 0.744177
C 0.736344 0.723394 0.195720
C -0.523320 0.137941 -0.538285
C 1.992424 -0.155376 -0.064310
C -0.784506 -1.339234 -0.131986
C -1.820703 0.950482 -0.279045
C 1.026238 2.184207 -0.216694
C 4.459329 -0.115329 0.109181
C 3.076990 -0.201739 2.143653
C -1.384984 -1.651344 1.115132
C -2.017900 1.720441 0.895276
C -0.414510 -2.404717 -0.990733
C -2.892678 0.871302 -1.205531
C 4.867428 0.813627 -1.057490
C -1.605483 -2.993256 1.495148
C -3.233683 2.401969 1.126771
C -0.647542 -3.748221 -0.618073
C -4.108338 1.552995 -0.983068
C 5.195526 2.247708 -0.592918
C -1.241843 -4.049696 0.627861
C -4.285226 2.325994 0.187129
H 0.514779 0.682334 1.281872
H 1.752427 -1.228586 0.125248
H 2.245486 -0.064735 -1.134654
H 0.214628 2.875515 0.065820
H 1.157185 2.244721 -1.310892
H 1.960870 2.509648 0.271065
H 4.439240 -1.177292 -0.247712
H 5.245212 -0.059446 0.888286
H -0.923364 -0.080994 -2.523893
H 3.082257 -1.317783 2.239342
H 3.925499 0.199578 2.725910
H 2.146848 0.167720 2.610808
H -1.699433 -0.844561 1.786436
H -1.218165 1.801762 1.638107
H 0.074214 -2.175164 -1.943351
H -2.803871 0.260415 -2.113512
H 5.748182 0.366924 -1.562469
H 4.057674 0.842175 -1.812394
H -2.070886 -3.213892 2.462670
H -3.356027 2.994668 2.040445
H -0.356306 -4.558006 -1.297074
H -4.917641 1.475040 -1.717796
H 6.075525 2.254838 0.078660
H 5.416451 2.910574 -1.449766
H 4.340620 2.668567 -0.035537
H -1.420681 -5.090805 0.919177
H -5.227417 2.856427 0.363634


