%chk=000043536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043536

0 1
 O   -1.029000       1.003700      0.7977000    
 O   0.9650000      -3.187100      7.1099997E-02
 N   -1.751300      -3.220000     -0.2012000    
 N   0.9166000      -1.068100       1.077900    
 C   -1.156200      -2.422800      0.8664000    
 C   0.3683000     -0.3268000       2.224400    
 C   0.3389000      -2.273600      0.6152000    
 C   -3.006500      -3.824800      0.2471000    
 C   -1.979200      -2.398400      -1.390800    
 C    2.146900     -0.5578000      0.5072000    
 C  -5.4600000E-02   1.076600       1.830400    
 C   -4.012100      -2.762500      0.6571000    
 C   -2.598900      -3.215300      -2.511900    
 C    3.019300      0.1972000       1.291200    
 C    2.458700     -0.8218000     -0.8266000    
 C    4.515400      0.4243000     -0.5922000    
 C    4.203600      0.6881000      0.7415000    
 C    3.642900     -0.3308000      -1.376200    
 C   -1.514800       2.193400      0.3218000    
 C   -1.366800       2.538300      -1.021600    
 C    5.780900      0.9496000      -1.180900    
 C   -2.163800       3.063600       1.197700    
 C   -1.867500       3.753400      -1.489100    
 C  -0.6748000       1.619200      -1.973400    
 C   -2.664700       4.278800      0.7303000    
 C   -2.516400       4.623500     -0.6131000    
 H   -1.238600      -2.933000       1.834900    
 H   -1.641700      -1.447500      0.9432000    
 H    1.089100     -0.3231000       3.048000    
 H  -0.4965000     -0.8585000       2.631400    
 H   -3.435300      -4.503800     -0.4970000    
 H   -2.801900      -4.470300       1.111400    
 H   -2.577100      -1.499400      -1.202600    
 H   -1.009300      -2.039700      -1.758800    
 H  -0.4767000       1.560100       2.718900    
 H   0.7876000       1.687700       1.489500    
 H   -4.915300      -3.263200       1.026800    
 H   -4.338500      -2.129100     -0.1721000    
 H   -3.666300      -2.126100       1.476800    
 H   -2.527300      -2.656200      -3.451800    
 H   -3.662300      -3.415900      -2.349800    
 H   -2.074600      -4.165600      -2.660700    
 H    2.842700      0.4171000       2.337800    
 H    1.787000      -1.378400      -1.473600    
 H    4.877000       1.273000       1.362500    
 H    3.870700     -0.5352000      -2.419100    
 H    5.608800       1.936500      -1.621600    
 H    6.564500       1.036700     -0.4206000    
 H    6.162700      0.2793000      -1.958600    
 H   -2.306200       2.806000       2.243400    
 H   -1.759700       4.037300      -2.532600    
 H   0.3852000       1.536000      -1.713400    
 H   -1.130500      0.6245000      -1.946100    
 H  -0.7383000       1.977300      -3.006500    
 H   -3.173800       4.954500       1.411300    
 H   -2.907200       5.569200     -0.9770000    


%chk=000043536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043536

0 1
O -1.049399 1.348421 0.672883
O 0.937236 -2.387691 -0.907566
N -1.736745 -3.164783 -0.407580
N 1.007568 -0.866006 0.856939
C -1.129180 -2.119096 0.425361
C 0.364923 -0.132881 1.971907
C 0.345962 -1.820102 0.052766
C -2.860151 -3.864407 0.261011
C -1.981183 -2.744864 -1.809949
C 2.375178 -0.490606 0.547091
C 0.054019 1.333656 1.642317
C -4.151337 -3.031602 0.504862
C -2.298709 -3.923916 -2.747340
C 3.367950 -0.526012 1.554156
C 2.730108 -0.061643 -0.755602
C 5.061423 0.303708 -0.033416
C 4.691850 -0.125893 1.265082
C 4.055295 0.324722 -1.035732
C -1.496783 2.605119 0.209550
C -2.559587 2.556274 -0.739818
C 6.489766 0.707562 -0.355143
C -0.952817 3.837663 0.641909
C -3.053760 3.783828 -1.235059
C -3.122532 1.224668 -1.191649
C -1.470491 5.048281 0.125430
C -2.522163 5.026796 -0.813591
H -1.155240 -2.472559 1.475752
H -1.682548 -1.147355 0.400933
H 1.038225 -0.140193 2.849496
H -0.563846 -0.636932 2.275708
H -3.113852 -4.755169 -0.341781
H -2.485466 -4.247145 1.230998
H -2.797781 -1.979502 -1.880247
H -1.050675 -2.269134 -2.161389
H -0.250209 1.865485 2.568289
H 0.946387 1.832693 1.214600
H -4.915395 -3.652343 1.009263
H -4.585126 -2.669409 -0.445100
H -3.952789 -2.152731 1.146381
H -2.335332 -3.570967 -3.794454
H -3.272234 -4.397892 -2.523958
H -1.507413 -4.689116 -2.664186
H 3.119575 -0.888123 2.558509
H 1.971427 -0.048249 -1.542285
H 5.449080 -0.162398 2.057503
H 4.314391 0.650966 -2.050478
H 6.526667 1.673161 -0.892490
H 7.100075 0.804556 0.559311
H 6.979005 -0.043604 -1.004535
H -0.135189 3.870559 1.367826
H -3.870946 3.761955 -1.966034
H -2.340897 0.596581 -1.657849
H -3.519436 0.644984 -0.336929
H -3.936579 1.367273 -1.922547
H -1.046740 6.001448 0.460606
H -2.925481 5.962065 -1.215731


