%chk=000201943.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201943

1 1
O -0.953729 -0.629022 -0.816649
O 5.936042 -1.598667 0.272019
O 6.210014 0.402435 -0.518927
N -4.246638 0.134653 0.246607
N -0.700615 1.300512 0.354982
N 5.527886 -0.530027 -0.139760
C -2.998243 0.588523 1.011884
C -5.221504 1.322372 0.140517
C -4.922955 -0.996957 1.048016
C -3.872030 -0.362239 -1.130599
C -2.135757 1.636670 0.270186
C -6.485205 0.999014 -0.634281
C -4.073595 -2.248569 1.154421
C -0.188263 0.165436 -0.291535
C 1.298080 0.013117 -0.239565
C 1.827818 -1.204844 0.209181
C 2.138094 1.048604 -0.673429
C 3.212775 -1.385716 0.244530
C 3.523088 0.871922 -0.645117
C 4.045057 -0.342210 -0.179257
H -3.303456 0.977377 2.008949
H -2.374746 -0.324359 1.219463
H -5.481057 1.659152 1.172754
H -4.693728 2.176343 -0.346618
H -5.172347 -0.608735 2.063669
H -5.897413 -1.240041 0.555408
H -2.948130 -0.994053 -1.099183
H -4.676067 -0.966421 -1.583162
H -3.639551 0.466356 -1.822787
H -2.426711 1.709057 -0.807729
H -2.294005 2.647525 0.713471
H -7.173359 1.864983 -0.618380
H -6.304452 0.785398 -1.697632
H -7.056773 0.157332 -0.218002
H -4.552931 -2.979588 1.830802
H -3.943756 -2.771270 0.194604
H -3.068555 -2.068257 1.563172
H -0.103527 1.935932 0.880787
H 1.164232 -2.016543 0.517040
H 1.723242 1.984768 -1.051122
H 3.651414 -2.330812 0.592856
H 4.202454 1.666149 -0.983483


%chk=000201943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201943

1 1
O -0.821235 -0.723304 -0.947051
O 6.087562 -1.712874 -0.146109
O 6.356027 0.512605 0.292413
N -4.299964 0.092972 0.207963
N -0.704763 1.335371 0.081089
N 5.633975 -0.520440 0.026355
C -2.952110 0.567769 0.792068
C -5.217457 1.331100 0.008283
C -4.965877 -0.870913 1.231665
C -4.076309 -0.637010 -1.125183
C -2.145018 1.529980 -0.126758
C -6.606242 1.032942 -0.567778
C -4.162918 -2.136573 1.553765
C -0.098234 0.185875 -0.415470
C 1.390145 0.059757 -0.287785
C 1.950346 -1.229913 -0.482905
C 2.243556 1.161972 -0.009855
C 3.338886 -1.430292 -0.380868
C 3.635209 0.977843 0.092411
C 4.157706 -0.319707 -0.088163
H -3.176343 1.032408 1.768237
H -2.351426 -0.338119 0.948116
H -5.296882 1.814022 0.998925
H -4.665877 2.009225 -0.664548
H -5.145139 -0.271536 2.142178
H -5.941249 -1.140374 0.796473
H -3.101741 -1.147681 -1.097837
H -4.897331 -1.349960 -1.286810
H -4.069464 0.096075 -1.945145
H -2.366480 1.319920 -1.188548
H -2.389840 2.585036 0.076774
H -7.106331 1.999251 -0.756554
H -6.562117 0.501451 -1.533118
H -7.253336 0.470014 0.123826
H -4.789904 -2.770869 2.205061
H -3.925333 -2.732062 0.656761
H -3.230877 -1.935045 2.105760
H -0.163771 2.052897 0.563047
H 1.279693 -2.060800 -0.720725
H 1.851070 2.180232 0.092582
H 3.794425 -2.413656 -0.522677
H 4.316064 1.807712 0.298236


