%chk=000225241.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225241

0 1
O 3.723860 -0.621067 -1.631037
O -3.713918 -0.657809 1.637407
O 3.603341 -2.605731 2.539553
O -3.567681 -2.669317 -2.519477
N 1.979213 1.634135 -0.418706
N -1.998412 1.611333 0.409534
N 1.336664 1.554310 1.781478
N -1.354851 1.524698 -1.790097
N 2.472664 -0.613451 2.328361
N -2.462803 -0.661229 -2.322005
N 3.655257 -1.620221 0.444016
N -3.632292 -1.670243 -0.430707
C 0.562199 3.569345 0.487041
C -0.606457 3.558395 -0.509560
C 1.277005 2.267646 0.594900
C -1.304422 2.246878 -0.608445
C 2.512711 0.454009 0.127249
C -2.516651 0.420714 -0.128270
C 2.097728 0.433503 1.489842
C -2.101412 0.396207 -1.490719
C 3.322240 -0.573636 -0.484087
C -3.312856 -0.613077 0.490159
C 2.099290 2.019831 -1.825465
C -2.123526 2.005139 1.813604
C 3.267916 -1.686796 1.816895
C -3.244127 -1.741224 -1.803128
C 2.017765 -0.643704 3.739355
C -2.007575 -0.695263 -3.732808
C 4.463390 -2.767613 -0.055481
C -4.425318 -2.824528 0.077058
H 0.192837 3.851472 1.502941
H 1.281649 4.372578 0.210028
H -0.240730 3.838286 -1.527391
H -1.336209 4.354170 -0.238024
H 1.126143 1.899054 -2.349966
H 2.437167 3.063954 -1.926151
H 2.834324 1.363275 -2.346411
H -2.474978 3.045443 1.907103
H -2.849950 1.342676 2.339129
H -1.148890 1.900672 2.338848
H 2.510540 -1.475377 4.279656
H 0.924006 -0.788885 3.787539
H 2.268689 0.308260 4.240087
H -2.489498 -1.536972 -4.267326
H -0.912021 -0.826529 -3.780108
H -2.270870 0.249891 -4.240045
H 4.985562 -2.481556 -0.987761
H 3.812138 -3.632797 -0.266896
H 5.211203 -3.070384 0.699212
H -3.762033 -3.677447 0.300534
H -5.164953 -3.146458 -0.677792
H -4.956068 -2.536758 1.003938


%chk=000225241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225241

0 1
O 3.896595 -0.522595 -1.713803
O -3.889364 -0.559925 1.718778
O 3.501854 -2.750058 2.424576
O -3.462192 -2.812027 -2.402999
N 2.063319 1.671330 -0.442137
N -2.084687 1.648959 0.432162
N 1.313112 1.479652 1.708516
N -1.330511 1.451660 -1.716588
N 2.383565 -0.698571 2.201555
N -2.371609 -0.744166 -2.194348
N 3.670790 -1.621871 0.376106
N -3.647603 -1.671266 -0.362943
C 0.591813 3.558889 0.478095
C -0.636504 3.548525 -0.500004
C 1.321235 2.251278 0.577534
C -1.349658 2.231313 -0.591258
C 2.561375 0.456982 0.059999
C -2.566370 0.424573 -0.061445
C 2.082707 0.374919 1.377578
C -2.085767 0.339301 -1.378127
C 3.409209 -0.541648 -0.538761
C -3.401121 -0.580966 0.544134
C 2.216610 2.157718 -1.826789
C -2.244713 2.142996 1.813341
C 3.198502 -1.749103 1.715612
C -3.172749 -1.801943 -1.701205
C 1.855687 -0.760946 3.578055
C -1.841555 -0.809869 -3.569863
C 4.528216 -2.733535 -0.097364
C -4.490360 -2.790834 0.118201
H 0.260193 3.795780 1.502134
H 1.276065 4.370612 0.164684
H -0.307871 3.783351 -1.525480
H -1.330657 4.353587 -0.191273
H 1.274075 2.003542 -2.381544
H 2.479872 3.229264 -1.823248
H 3.020132 1.579451 -2.307429
H -2.521494 3.211074 1.802268
H -3.041019 1.557969 2.297795
H -1.300563 2.004603 2.369503
H 2.275619 -1.658615 4.054386
H 0.754155 -0.824220 3.562246
H 2.151198 0.143513 4.135028
H -2.250096 -1.715899 -4.040232
H -0.739346 -0.859745 -3.552540
H -2.147394 0.087018 -4.133448
H 4.823602 -2.502250 -1.130979
H 3.971227 -3.683702 -0.056399
H 5.416596 -2.826368 0.548275
H -3.920956 -3.733868 0.083568
H -5.377524 -2.899609 -0.526612
H -4.788640 -2.556460 1.150290


