%chk=000073027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073027

0 1
 O    2.336600      0.4289000       2.052900    
 O   0.3621000       2.315100     -0.3502000    
 O    2.486300      -1.549100     -0.5038000    
 O    1.914300       1.194100      -2.319300    
 O   -1.928400      -1.984900      0.1661000    
 O   -3.079500      -3.109200      -1.491900    
 N    3.579300      0.4490000     -0.7020000    
 C   0.5189000     -0.4041000      0.5310000    
 C    1.241600      0.7565000       1.184600    
 C  -0.9092000      0.1746000      9.5899999E-02
 C    1.580400       1.680100      6.2100001E-02
 C    1.431200     -0.6204000     -0.7483000    
 C    2.159400      0.7201000      -1.004600    
 C    1.244200       1.141900       2.645500    
 C  -0.6985000       1.448400     -0.8024000    
 C   0.4353000      -1.664600       1.397800    
 C   -1.769200      0.5945000       1.328200    
 C   -1.715100     -0.8925000     -0.6951000    
 C   -1.915400       2.327000     -0.9347000    
 C   -3.112700       1.235800      0.9572000    
 C    3.621400     -0.8232000     -0.4837000    
 C   -3.011600       2.232700     -0.1645000    
 C    4.848200      -1.592400     -0.1589000    
 C   -4.207500       3.113300     -0.3760000    
 C   -2.631600      -3.043800     -0.3551000    
 C   -2.780400      -4.127900      0.6690000    
 H    2.291600       2.463600      0.3433000    
 H   0.8799000     -0.9799000      -1.619200    
 H    1.403600       2.181400       2.901500    
 H   0.6157000      0.5969000       3.337000    
 H  -0.4558000       1.124200      -1.820700    
 H  -0.2827000      -1.573700       2.216400    
 H   0.2063000      -2.557300      0.8091000    
 H    1.399200      -1.878900       1.875200    
 H   -1.227900       1.337100       1.923600    
 H   -1.965300     -0.2468000       2.000800    
 H   -1.173100      -1.226300      -1.584900    
 H   -2.678500     -0.5039000      -1.042600    
 H   -1.881600       3.074100      -1.724600    
 H   -3.509400       1.731800       1.852000    
 H   -3.838700      0.4604000      0.6853000    
 H    2.354000      0.5780000      -2.929300    
 H    5.733300     -0.9652000     -0.2945000    
 H    4.925300      -2.460100     -0.8192000    
 H    4.802900      -1.926200      0.8810000    
 H   -4.071300       3.801000      -1.217400    
 H   -4.399700       3.714800      0.5183000    
 H   -5.093700       2.504700     -0.5834000    
 H   -3.308000      -3.739700       1.543800    
 H   -1.795200      -4.507300      0.9508000    
 H   -3.364900      -4.949800      0.2460000    


%chk=000073027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073027

0 1
O 2.530519 0.369136 2.126605
O 0.350715 2.332535 -0.277916
O 2.615099 -1.561311 -0.482834
O 1.904359 1.170672 -2.375052
O -2.288357 -1.903047 0.272306
O -2.823775 -3.261856 -1.545305
N 3.629858 0.508175 -0.818053
C 0.589543 -0.446827 0.556085
C 1.352894 0.715384 1.236087
C -0.851902 0.120033 0.138176
C 1.623211 1.695534 0.095904
C 1.469182 -0.632170 -0.733943
C 2.173568 0.742545 -1.014605
C 1.319660 1.091157 2.671915
C -0.669259 1.361722 -0.811521
C 0.526869 -1.730789 1.403729
C -1.671993 0.605311 1.369177
C -1.650617 -0.935313 -0.668969
C -1.927742 2.171780 -1.007069
C -3.070355 1.121815 0.965050
C 3.783829 -0.761709 -0.548749
C -3.031974 2.077950 -0.216760
C 5.061269 -1.487811 -0.286385
C -4.280394 2.896642 -0.469310
C -2.844859 -3.048238 -0.312707
C -3.441516 -3.946223 0.749462
H 2.318581 2.512216 0.341917
H 0.933628 -1.023230 -1.611522
H 1.497625 2.135825 2.957605
H 0.721075 0.500222 3.376021
H -0.295297 1.026256 -1.800858
H -0.197367 -1.635288 2.229771
H 0.224756 -2.597031 0.793016
H 1.522692 -1.939926 1.825746
H -1.121010 1.437414 1.842049
H -1.780003 -0.204715 2.110184
H -1.021792 -1.506927 -1.372798
H -2.455960 -0.458549 -1.255587
H -1.907543 2.883737 -1.841538
H -3.533409 1.635598 1.831813
H -3.743497 0.270572 0.731792
H 2.486659 1.947565 -2.574209
H 5.913031 -0.819759 -0.477698
H 5.136004 -2.383436 -0.926925
H 5.094748 -1.824414 0.765089
H -4.186797 3.524535 -1.371679
H -4.496247 3.560385 0.391229
H -5.167405 2.244056 -0.594057
H -4.180566 -3.390623 1.351840
H -2.651480 -4.294079 1.438166
H -3.922159 -4.812703 0.273415


