%chk=000203346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203346

0 1
O -1.298254 -0.619867 0.709552
N -4.918555 -0.564151 0.175399
C 1.018233 -0.618243 1.072320
C 1.453254 -0.148632 -0.358204
C 3.402378 0.251884 1.350464
C 2.160646 -0.338285 2.084963
C 2.709325 -0.935474 -0.686871
C 1.874380 1.305776 -0.256657
C 3.764642 -0.721570 0.241733
C 2.932220 1.524409 0.667357
C -0.290313 0.059735 1.498070
C 2.879731 -1.800979 -1.757290
C 1.323366 2.369206 -0.957290
C 4.978586 -1.374952 0.088929
C 3.428603 2.802267 0.879449
C 4.113040 -2.460374 -1.909166
C 1.830498 3.662999 -0.740416
C 5.147406 -2.250559 -0.999165
C 2.868425 3.876614 0.164925
C -2.632821 -0.084410 0.894061
C -3.504542 -1.045492 0.069563
C -5.230749 0.415864 -0.917815
C -5.879015 -1.717113 0.156981
C -6.656009 0.963507 -0.735243
C -7.314798 -1.201206 0.352445
C -7.685137 -0.173633 -0.724116
H 0.829164 -1.719438 1.019676
H 0.628943 -0.312221 -1.081024
H 4.236516 0.426263 2.056387
H 2.445504 -1.272769 2.598451
H 1.839351 0.364951 2.872398
H -0.307377 1.139089 1.268780
H -0.513000 -0.098937 2.567303
H 2.078070 -1.971101 -2.471736
H 0.514703 2.211060 -1.666600
H 5.792395 -1.217057 0.791731
H 4.239309 2.978978 1.581424
H 4.255330 -3.139088 -2.747886
H 1.406306 4.501480 -1.289331
H 6.097636 -2.765221 -1.127255
H 3.254559 4.881665 0.322839
H -2.900327 -0.099402 1.963702
H -2.661592 0.950346 0.515843
H -3.119093 -1.105873 -0.970382
H -3.399237 -2.069809 0.488753
H -5.122219 -0.024520 -1.932465
H -4.499351 1.249503 -0.845736
H -5.611997 -2.393319 0.998238
H -5.815580 -2.314130 -0.777822
H -6.883446 1.685474 -1.539762
H -6.713407 1.525742 0.218495
H -7.402840 -0.736403 1.355215
H -8.020264 -2.051152 0.337240
H -8.696893 0.229400 -0.534438
H -7.728001 -0.659429 -1.717016


%chk=000203346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203346

0 1
O -1.227478 -0.882972 0.731389
N -4.910395 -0.578239 0.137106
C 1.155336 -0.820049 1.184882
C 1.492962 -0.404349 -0.305696
C 3.424971 0.393736 1.279214
C 2.291279 -0.299945 2.131169
C 2.836123 -1.056686 -0.619307
C 1.694152 1.107199 -0.317101
C 3.883879 -0.629463 0.242712
C 2.747765 1.541986 0.534640
C -0.219286 -0.299166 1.623620
C 3.090408 -2.007998 -1.625321
C 0.945230 2.045955 -1.052530
C 5.182865 -1.151378 0.096927
C 3.052419 2.911917 0.646460
C 4.398988 -2.532487 -1.775820
C 1.254905 3.425336 -0.945968
C 5.440457 -2.106320 -0.919037
C 2.304302 3.856458 -0.100986
C -2.577503 -0.369949 0.991950
C -3.529767 -1.111661 0.042176
C -5.106259 0.643984 -0.685154
C -5.949011 -1.597736 -0.160712
C -6.489094 1.274794 -0.425676
C -7.361937 -1.042177 0.114651
C -7.612775 0.248994 -0.698011
H 1.120079 -1.924923 1.210297
H 0.683820 -0.733396 -0.976351
H 4.248950 0.737867 1.928050
H 2.726293 -1.134210 2.709334
H 1.892821 0.437953 2.853925
H -0.252075 0.812050 1.564607
H -0.427281 -0.598375 2.675901
H 2.282315 -2.338835 -2.288358
H 0.130411 1.709038 -1.704237
H 5.990419 -0.820040 0.760878
H 3.864884 3.246367 1.302697
H 4.605762 -3.268997 -2.560666
H 0.681752 4.160750 -1.522123
H 6.450378 -2.513560 -1.043344
H 2.541114 4.923957 -0.026168
H -2.873607 -0.556137 2.046370
H -2.603698 0.727834 0.815198
H -3.118773 -1.054904 -0.995386
H -3.536401 -2.179924 0.325329
H -5.013259 0.404107 -1.779000
H -4.308509 1.369764 -0.442899
H -5.759514 -2.482383 0.475448
H -5.893126 -1.936737 -1.230224
H -6.612152 2.168307 -1.067839
H -6.537274 1.608375 0.628872
H -7.450481 -0.820987 1.195986
H -8.115562 -1.814128 -0.134491
H -8.601253 0.678680 -0.447826
H -7.630866 0.004107 -1.780560


