%chk=000125986.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125986

0 1
 O   -4.446400      -2.789300      0.1028000    
 O   -1.945100       2.115900       1.536100    
 O   -4.667500      -1.674800       2.054800    
 O  -0.9459000      -2.196100     -0.2227000    
 N   -2.838000      -1.065600     -0.9721000    
 N   -1.014600       2.645200     -0.5222000    
 N   0.1574000       3.057000      4.2500000E-02
 N    2.379700       2.512800      0.7065000    
 C   -4.090200      0.6870000      0.1599000    
 C   -3.338700     -0.6426000      0.3147000    
 C   -3.261800       1.807400     -0.4736000    
 C    4.702600      -1.395700      0.4835000    
 C    4.735100     -0.1853000     -0.4644000    
 C    5.978600      -2.231700      0.3862000    
 C    3.515300      0.6577000     -0.3489000    
 C   -2.017500       2.186500      0.3121000    
 C   -4.199300      -1.739700      0.9235000    
 C    2.397900      0.4140000      -1.139800    
 C    5.953500      -3.402400       1.356100    
 C    3.456100       1.709800      0.5508000    
 C    1.298800       2.255300     -7.7900000E-02
 C    1.271400       1.218600      -1.008700    
 C   -1.679900      -1.808800      -1.128200    
 C   -1.401500      -2.135400      -2.570900    
 H   -4.989600      0.5315000     -0.4504000    
 H   -4.445500       1.010800       1.146600    
 H   -2.479100     -0.5245000      0.9848000    
 H   -2.988800       1.536800      -1.500200    
 H   -3.879700       2.711200     -0.5425000    
 H    3.833300      -2.024100      0.2512000    
 H    4.572500      -1.049300       1.517000    
 H    5.624200      0.4239000     -0.2559000    
 H    4.850800     -0.5304000      -1.500000    
 H    6.097000      -2.610600     -0.6355000    
 H    6.851400      -1.605000      0.6034000    
 H   -3.411700     -0.8805000      -1.790400    
 H    2.393400     -0.3999000      -1.859800    
 H    5.108300      -4.066100       1.147700    
 H    5.870100      -3.053500       2.390300    
 H    6.874500      -3.987100       1.268200    
 H    4.295300       1.948700       1.196900    
 H   -1.102200       2.770300      -1.525100    
 H   0.4182000       1.006700      -1.644600    
 H   0.1323000       3.808300      0.7190000    
 H  -0.3670000      -2.473400      -2.677600    
 H   -2.077500      -2.928700      -2.900900    
 H   -1.544500      -1.250000      -3.197200    
 H   -5.018000      -3.462300      0.5302000    


%chk=000125986-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125986

0 1
O -5.020291 -2.400183 0.396071
O -2.167831 3.362461 1.014115
O -3.892290 -1.535048 2.239629
O -1.593755 -0.235380 -2.120439
N -3.642008 -1.037395 -1.361536
N -1.086404 1.837213 -0.353634
N 0.143006 2.240416 0.180689
N 2.377061 2.074376 0.741429
C -4.219998 0.859639 0.225658
C -3.520572 -0.523967 0.017137
C -3.532540 2.016246 -0.547155
C 5.386762 -1.429836 0.864150
C 5.232020 -0.310970 -0.203913
C 6.775732 -2.106823 0.833159
C 3.861424 0.342155 -0.180823
C -2.222856 2.468001 0.101307
C -4.112357 -1.516462 1.015869
C 2.764385 -0.168389 -0.924893
C 6.927637 -3.209303 1.903278
C 3.591413 1.475236 0.628628
C 1.334660 1.552713 0.015737
C 1.489894 0.423267 -0.845282
C -2.662098 -0.907683 -2.317083
C -2.908517 -1.616243 -3.639898
H -5.274627 0.770741 -0.098569
H -4.219122 1.093425 1.306431
H -2.446107 -0.413077 0.253873
H -3.383846 1.732683 -1.604714
H -4.202067 2.893464 -0.526500
H 4.597184 -2.193079 0.708333
H 5.204933 -0.998227 1.869178
H 6.017463 0.452531 -0.032647
H 5.428137 -0.746040 -1.204708
H 6.948995 -2.539068 -0.173999
H 7.560402 -1.336188 0.978976
H -4.458487 -1.623880 -1.551795
H 2.911508 -1.036556 -1.579601
H 6.174099 -4.006877 1.760690
H 6.787751 -2.795738 2.919766
H 7.928240 -3.678117 1.863602
H 4.394556 1.933277 1.221247
H -1.120406 1.094696 -1.079558
H 0.660551 0.026199 -1.437390
H 0.061034 2.989971 0.876050
H -2.854764 -0.881141 -4.460607
H -2.100865 -2.349516 -3.808183
H -3.879237 -2.137125 -3.684731
H -5.420100 -3.003800 1.077956


