%chk=000083575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083575

0 1
 O    4.093400      0.9622000      -1.304700    
 O    5.441900      -2.322800     -0.9253000    
 O    4.143200     -0.8390000      -2.747500    
 O   -8.109000      -3.631800     -0.4077000    
 O   -9.086300      -1.785500      0.2670000    
 N    2.283100       3.021400     -0.5381000    
 N   -2.765600      0.6015000     -0.8195000    
 N   -3.042000      6.5300003E-02  0.2779000    
 N    3.247300       6.004900       3.166200    
 N   -8.056100      -2.434600     -3.5500001E-02
 N   -5.355300       2.636300       1.306000    
 C    3.118000       3.117700      -1.719000    
 C    2.775800       3.546200      0.7198000    
 C    1.012900       2.412600     -0.6094000    
 C    3.393600       1.730900      -2.275000    
 C    2.364400       5.003700      0.8993000    
 C   0.7361000       1.284400      0.1632000    
 C   3.3000000E-02   2.938700      -1.451300    
 C  -0.5204000      0.6824000      9.3699999E-02
 C   -1.223300       2.336700      -1.521200    
 C   -1.499900       1.208600     -0.7488000    
 C    2.858400       5.562100       2.166700    
 C    4.410100     -0.3183000      -1.673000    
 C    5.142400     -0.9948000     -0.5444000    
 C   -4.304500     -0.5399000      0.2069000    
 C    5.495200      -3.263800      7.4600004E-02
 C   -5.463200      0.1629000      0.5378000    
 C   -4.388800      -1.870200     -0.2046000    
 C   -6.790800      -1.795000      4.6500001E-02
 C   -6.706300     -0.4647000      0.4574000    
 C   -5.632100      -2.497700     -0.2845000    
 C    5.883000      -2.892200       1.361900    
 C    5.161100      -4.590400     -0.1976000    
 C    5.936700      -3.847300       2.377300    
 C    5.215000      -5.545600      0.8176000    
 C    5.602400      -5.174100       2.105300    
 C   -5.403600       1.529100      0.9621000    
 H    2.635400       3.740400      -2.480800    
 H    4.070900       3.602100      -1.473400    
 H    3.870100       3.462600      0.7605000    
 H    2.413800       2.951900       1.568700    
 H    2.468900       1.216900      -2.561600    
 H    4.020200       1.828200      -3.169800    
 H    1.271600       5.090600      0.8691000    
 H    2.746500       5.604100      6.4800002E-02
 H    1.493400      0.8522000      0.8123000    
 H   0.2292000       3.821800      -2.053600    
 H  -0.6861000     -0.2086000      0.6942000    
 H   -1.981400       2.754200      -2.178400    
 H    4.472300     -0.9575000      0.3236000    
 H    6.073300     -0.4515000     -0.3527000    
 H   -3.492000      -2.427100     -0.4638000    
 H   -7.598800      0.1004000      0.7196000    
 H   -5.659600      -3.534900     -0.6085000    
 H    6.176300      -1.875800       1.607400    
 H    4.858100      -4.885400      -1.198500    
 H    6.244500      -3.559700       3.378400    
 H    4.955100      -6.578600      0.6057000    
 H    5.645500      -5.918000       2.895400    


%chk=000083575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083575

0 1
O 4.153061 0.114096 -1.234818
O 6.545821 -2.532123 -0.585652
O 4.607755 -1.834136 -2.439938
O -10.565795 -0.725708 -1.433051
O -10.786282 -0.200751 0.778833
N 1.763033 1.858726 -0.666286
N -3.778249 0.706501 -1.009747
N -4.506707 0.818336 0.086870
N 3.684615 4.196451 3.216668
N -10.083692 -0.342444 -0.296379
N -5.671807 1.436304 3.363712
C 2.604403 1.866292 -1.879659
C 2.439952 2.163221 0.606570
C 0.397618 1.571906 -0.726825
C 3.154104 0.489630 -2.274592
C 2.322534 3.676233 0.987048
C -0.431464 1.659125 0.448531
C -0.230131 1.181335 -1.958026
C -1.796619 1.381962 0.394598
C -1.600706 0.908336 -2.005786
C -2.413160 1.002611 -0.839748
C 3.066654 3.981275 2.218876
C 4.815678 -1.111620 -1.453406
C 5.772362 -1.343112 -0.290093
C -5.880532 0.511327 -0.098021
C 7.495654 -2.936828 0.378707
C -6.703984 0.651973 1.069757
C -6.473401 0.084268 -1.321784
C -8.635402 -0.047874 -0.225018
C -8.088160 0.370733 1.002750
C -7.843812 -0.195412 -1.391174
C 7.744306 -2.257015 1.595614
C 8.216148 -4.108624 0.044280
C 8.727493 -2.765702 2.477843
C 9.190794 -4.600323 0.933985
C 9.453127 -3.932314 2.156205
C -6.119466 1.081847 2.313474
H 2.036995 2.281459 -2.731901
H 3.458123 2.545857 -1.707604
H 3.502692 1.891670 0.502990
H 2.031545 1.539724 1.419829
H 2.368360 -0.284745 -2.312952
H 3.659640 0.530334 -3.257170
H 1.261574 3.957160 1.120238
H 2.720199 4.299043 0.163532
H 0.000604 1.950987 1.409827
H 0.352557 1.078171 -2.876554
H -2.420914 1.454254 1.290603
H -2.078291 0.608165 -2.944186
H 5.178435 -1.460571 0.641070
H 6.416809 -0.447632 -0.172398
H -5.826740 -0.016746 -2.197250
H -8.732477 0.471632 1.879308
H -8.321323 -0.524149 -2.317956
H 7.197171 -1.349710 1.870329
H 7.996705 -4.608290 -0.904004
H 8.921143 -2.241203 3.420127
H 9.747033 -5.507375 0.673458
H 10.211413 -4.318335 2.845043


