%chk=000194708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194708

0 1
O 0.235046 0.352584 0.648272
O -3.020368 -0.024306 0.731430
O 3.526731 -2.394669 -0.261854
O -3.222748 2.265156 0.845857
O 2.590807 3.103945 -1.226271
O 3.713007 3.176743 0.707990
N 0.272243 -1.695283 -0.307918
N -2.013824 1.237987 -0.856500
N 2.938491 -0.405055 0.695249
C -1.246713 0.041711 -1.276210
C 1.267914 -2.233044 0.659631
C -0.502166 0.513823 -2.545531
C 1.193391 -3.764314 0.514544
C -0.226958 -2.752502 -1.234174
C 0.517320 -4.040913 -0.840277
C -0.212635 -0.394226 -0.214297
C -0.306698 2.033012 -2.368420
C -1.345240 2.494245 -1.329073
C 2.679310 -1.708534 0.286106
C -2.769067 1.264252 0.328831
C -3.854533 -0.277680 1.947942
C 4.207589 0.258624 0.334892
C -5.251297 0.266235 1.692223
C -3.804638 -1.804126 1.983971
C -3.162503 0.368153 3.137467
C 4.015255 1.268527 -0.810490
C 3.474865 2.570570 -0.307473
H -1.977590 -0.784173 -1.470624
H 1.009586 -1.902332 1.699506
H 0.460857 -0.003850 -2.687741
H -1.113602 0.302333 -3.441969
H 2.205910 -4.217126 0.547938
H 0.617113 -4.204539 1.346184
H -1.326576 -2.867667 -1.122175
H -0.014329 -2.465046 -2.285095
H -0.167670 -4.902473 -0.779920
H 1.282063 -4.295505 -1.599643
H -0.431045 2.564870 -3.325796
H 0.722372 2.252378 -2.015328
H -2.126839 3.149923 -1.767893
H -0.876658 3.044020 -0.485695
H 2.179803 0.199883 1.049052
H 4.956570 -0.514093 0.028396
H 4.610720 0.773404 1.240482
H -5.236442 1.365923 1.599905
H -5.938098 0.016035 2.506552
H -5.674992 -0.122355 0.759413
H -4.363330 -2.195439 2.840461
H -4.231946 -2.238801 1.072531
H -2.771292 -2.164915 2.058936
H -2.102929 0.087252 3.190520
H -3.634879 0.090763 4.084163
H -3.188625 1.468716 3.064434
H 4.988688 1.457286 -1.316917
H 3.357305 0.846740 -1.603946
H 2.219779 3.979373 -0.930048


%chk=000194708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194708

0 1
O 0.505082 1.036923 0.861107
O -3.016088 -0.143087 0.784345
O 3.548261 -2.334601 0.309032
O -3.875412 2.042262 1.183286
O 4.589274 0.789752 -3.512888
O 2.934430 1.511973 -2.059524
N 0.287599 -1.086568 -0.035216
N -2.095900 1.658630 -0.274958
N 3.063192 -0.073796 0.601165
C -1.137934 0.758174 -0.947910
C 1.235834 -1.679843 0.963354
C -0.489910 1.688217 -2.019358
C 0.902499 -3.183430 0.926258
C -0.334282 -2.136156 -0.898373
C 0.454174 -3.418439 -0.538602
C -0.070592 0.236439 0.037727
C -0.546882 3.094378 -1.366571
C -1.880843 3.095194 -0.584523
C 2.724166 -1.401764 0.588791
C -3.063195 1.260392 0.615411
C -3.990120 -0.813174 1.740668
C 4.413338 0.380360 0.243677
C -5.433370 -0.598734 1.239881
C -3.576600 -2.292550 1.637729
C -3.772771 -0.269870 3.167595
C 4.799473 0.095403 -1.225318
C 3.995001 0.871299 -2.242860
H -1.680022 -0.085710 -1.403486
H 1.036260 -1.206489 1.942928
H 0.541438 1.392986 -2.270351
H -1.106466 1.657582 -2.937056
H 1.785376 -3.786455 1.188864
H 0.079879 -3.405644 1.630248
H -1.407269 -2.234804 -0.646124
H -0.242623 -1.876363 -1.967889
H -0.162993 -4.323984 -0.660608
H 1.346875 -3.515878 -1.180527
H -0.502179 3.904973 -2.113228
H 0.297870 3.207020 -0.668029
H -2.724348 3.481217 -1.189683
H -1.836696 3.681167 0.348810
H 2.303488 0.608401 0.789039
H 5.150192 -0.142403 0.881939
H 4.472354 1.460493 0.458826
H -5.706812 0.466787 1.285161
H -6.133988 -1.174726 1.872223
H -5.537434 -0.953058 0.198420
H -4.211495 -2.907140 2.300543
H -3.694874 -2.659028 0.602442
H -2.522752 -2.421533 1.942843
H -2.713754 -0.376020 3.463381
H -4.391815 -0.845805 3.880114
H -4.054517 0.792653 3.227709
H 5.871234 0.309592 -1.390092
H 4.669775 -0.986979 -1.420471
H 4.033378 1.293265 -4.168270


