%chk=000279832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279832

0 1
S 0.810857 -0.777982 0.679357
O -2.413118 -0.022301 -2.104131
O -0.746372 -3.727144 0.556113
O -5.367638 1.155387 2.230632
O -4.863231 3.157320 1.359303
O 3.608712 -0.165575 0.624500
O 2.558644 -2.595255 0.347681
O 3.766445 -4.324616 1.147580
N -2.008459 -1.641710 -0.553534
N 0.885087 -3.930786 -1.054057
N -6.802568 2.410653 -0.688681
C -0.714460 -2.015516 -1.166188
C -4.751557 0.915476 -0.942073
C -4.044793 -0.294361 -0.327539
C -5.915934 1.405254 -0.058217
C 0.321981 -0.890655 -1.068669
C -2.768926 -0.599682 -1.087621
C -0.202841 -3.278910 -0.434648
C -5.337326 2.062387 1.193863
C 1.479039 0.893652 0.809265
C 1.754910 -4.750933 -0.185132
C 2.965021 0.862803 0.557505
C 3.627770 2.156181 0.216514
C 2.820003 -3.918661 0.518063
C 3.064923 3.399784 0.540806
C 4.870777 2.104481 -0.436500
C 3.734529 4.578139 0.203687
C 5.534923 3.285036 -0.777716
C 4.966631 4.522028 -0.458563
H -0.897276 -2.242572 -2.257655
H -5.126300 0.651872 -1.953150
H -4.019097 1.733133 -1.122055
H -3.826156 -0.112212 0.748765
H -4.714054 -1.181696 -0.340183
H -0.119085 0.060130 -1.440517
H 1.207595 -1.092879 -1.698201
H -6.557959 0.531532 0.252990
H -2.208369 -2.063323 0.360800
H 1.410959 -3.412175 -1.762850
H 0.951156 1.602841 0.142696
H 1.275065 1.246396 1.846046
H -6.290281 3.251507 -0.950323
H -7.240931 2.035913 -1.524852
H 2.240468 -5.550440 -0.792982
H 1.136220 -5.276775 0.591879
H -5.026521 1.531079 3.085723
H 2.110712 3.460015 1.063543
H 5.314139 1.131469 -0.668462
H 3.297420 5.543334 0.457703
H 6.496903 3.240085 -1.287548
H 5.484503 5.444616 -0.722750
H 3.223759 -1.962942 0.805480


%chk=000279832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279832

0 1
S 0.683538 -0.383569 0.784017
O -2.633663 -0.183677 -2.172657
O -0.875185 -3.525026 0.959910
O -6.723534 -0.121958 1.635338
O -6.360179 2.108113 2.165580
O 3.730083 -0.156442 -0.012104
O 3.007657 -2.639262 -0.400210
O 3.521035 -3.693414 1.620611
N -2.120684 -1.604376 -0.416634
N 0.741434 -3.893084 -0.692130
N -6.594148 2.747308 -0.542589
C -0.840681 -2.019696 -0.984835
C -4.684241 1.065117 -0.526778
C -4.276985 -0.413599 -0.347305
C -6.183791 1.382075 -0.191443
C 0.221574 -0.880767 -0.992903
C -2.950751 -0.710767 -1.054838
C -0.342163 -3.231222 -0.154223
C -6.431757 1.204771 1.302767
C 1.687976 1.157622 0.423920
C 1.714458 -4.576932 0.173096
C 3.178121 0.979586 0.100701
C 4.002048 2.216998 -0.081141
C 2.849965 -3.606934 0.571963
C 3.445105 3.525310 -0.013896
C 5.395113 2.067352 -0.334699
C 4.265913 4.656774 -0.198455
C 6.212018 3.199007 -0.516847
C 5.649055 4.497041 -0.449812
H -0.988020 -2.306371 -2.046271
H -4.522385 1.330125 -1.588814
H -4.031621 1.726196 0.076050
H -4.224946 -0.694616 0.719690
H -5.054204 -1.060521 -0.803042
H -0.212637 -0.007958 -1.507165
H 1.142053 -1.215402 -1.499971
H -6.812384 0.644543 -0.726111
H -2.350338 -2.028740 0.491047
H 1.145268 -3.500935 -1.547134
H 1.196817 1.712477 -0.397875
H 1.593682 1.782614 1.330615
H -6.401620 3.439043 0.188066
H -6.325239 3.044068 -1.483039
H 2.141501 -5.458654 -0.336682
H 1.207887 -4.915404 1.089764
H -6.848991 -0.194483 2.621174
H 2.377334 3.670980 0.178327
H 5.808532 1.054930 -0.381436
H 3.831358 5.660519 -0.147152
H 7.282789 3.075229 -0.709419
H 6.284281 5.378188 -0.592016
H 3.429454 -1.758777 -0.107317


