%chk=000146581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000146581

0 1
F 0.225534 1.175673 -0.142049
F -0.182978 -3.575626 -0.207792
O -4.816822 -1.983379 -0.575999
O -6.773767 -0.491226 -1.428253
O -6.743953 1.672028 -0.867644
N -2.585408 1.436686 -0.167470
N 1.546440 -1.328115 0.103448
N 4.173857 -1.003552 1.885115
C -1.912427 2.686824 0.228227
C -2.584666 3.590559 1.257925
C -1.343790 2.816913 1.636333
C 3.902337 -0.802725 0.434024
C 2.479314 -0.177616 0.279073
C 3.790446 -2.152426 -0.334838
C 2.311426 -2.557406 -0.283104
C -1.906822 0.179769 -0.208645
C 0.185834 -1.194118 -0.114449
C 4.946410 0.159495 -0.119035
C -0.498545 0.052466 -0.141173
C -3.944164 1.503857 -0.423813
C -2.686090 -0.984955 -0.361878
C -0.683074 -2.335303 -0.233435
C -4.721745 0.396029 -0.646403
C -2.051907 -2.241988 -0.365897
C -4.165670 -0.961005 -0.538787
C 5.528969 -0.020723 -1.380435
C 5.309357 1.279993 0.647283
C 6.466955 0.895109 -1.865659
C 6.247615 2.193710 0.161993
C -6.132207 0.620964 -0.961142
C 6.829678 2.003477 -1.095483
H -1.381866 3.145762 -0.622635
H -3.541032 3.314586 1.703845
H -2.536799 4.670617 1.118610
H -0.395310 3.334576 1.777941
H -1.424114 1.980524 2.332565
H 2.200560 0.400200 1.188007
H 2.468524 0.506618 -0.596292
H 4.441856 -2.928357 0.098278
H 4.125289 -2.040055 -1.385821
H 1.976135 -2.955952 -1.263845
H 2.143827 -3.340055 0.489983
H -4.397345 2.514566 -0.449325
H 5.105107 -1.376872 2.042754
H 3.501292 -1.640597 2.304031
H -2.680682 -3.140280 -0.468776
H 5.251461 -0.878887 -1.996345
H 4.859747 1.432112 1.631731
H 6.914278 0.743240 -2.846754
H 6.525697 3.056551 0.765651
H 7.561007 2.716106 -1.472802
H -7.736870 -0.309593 -1.617340


%chk=000146581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146581

0 1
F 0.208020 1.133121 -0.759446
F -0.038057 -3.611170 0.245422
O -4.849488 -2.186123 0.132314
O -7.098027 -0.615087 -0.412962
O -6.781360 1.675350 -0.467265
N -2.651141 1.360851 -0.324408
N 1.556807 -1.293828 -0.277382
N 3.900100 -1.381341 1.569386
C -1.948929 2.654039 -0.303413
C -2.533091 3.811620 0.510655
C -1.249021 3.108812 0.977807
C 3.860964 -0.854293 0.183986
C 2.483064 -0.154785 -0.020981
C 3.752112 -1.986685 -0.894070
C 2.310394 -2.511206 -0.721650
C -1.958745 0.120595 -0.243289
C 0.175074 -1.218066 -0.205091
C 5.021066 0.136755 -0.006254
C -0.549829 0.000711 -0.362237
C -4.024304 1.358184 -0.381964
C -2.726384 -1.075758 -0.081634
C -0.664314 -2.361848 0.022102
C -4.834019 0.229318 -0.283239
C -2.047388 -2.312290 0.048523
C -4.223148 -1.094336 -0.059395
C 5.741769 0.261452 -1.221119
C 5.356462 1.001572 1.069669
C 6.769239 1.223876 -1.357291
C 6.378531 1.965159 0.934369
C -6.286217 0.513751 -0.388456
C 7.090620 2.081979 -0.282253
H -1.458049 2.899776 -1.248471
H -3.438114 3.637512 1.099534
H -2.462993 4.811488 0.074732
H -0.286819 3.615030 0.871010
H -1.332254 2.459791 1.854544
H 2.182128 0.407377 0.878917
H 2.537529 0.543226 -0.875219
H 4.507074 -2.776189 -0.741785
H 3.873644 -1.575797 -1.911933
H 1.889985 -2.910938 -1.661773
H 2.256153 -3.312672 0.035619
H -4.502260 2.333529 -0.505121
H 4.760645 -1.889087 1.798291
H 3.054860 -1.888620 1.850639
H -2.649746 -3.212834 0.203251
H 5.520747 -0.392223 -2.071061
H 4.812971 0.885239 2.012852
H 7.319045 1.299824 -2.302295
H 6.621753 2.622672 1.776879
H 7.887127 2.826943 -0.388933
H -8.043288 -0.306179 -0.486608


