%chk=000037910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037910

0 1
 O    3.581400      0.3240000      0.3842000    
 O    5.102700      -1.933000       1.611800    
 O  -0.5460000      -1.210500      -1.190500    
 O   -5.693600       1.535000       1.322100    
 N    1.696700      -2.240000      0.1921000    
 N   -6.616400     -0.4450000      0.6245000    
 C    3.684100      -1.750500       1.588900    
 C    3.137700      -2.409800      0.3203000    
 C    3.384900     -0.2552000       1.670400    
 C    1.211600      -2.826700      -1.049800    
 C  -0.2856000      -2.608000      -1.198000    
 C    2.801200       1.404500      7.0299998E-02
 C    2.436800       1.661500      -1.251300    
 C    2.369800       2.252700       1.090200    
 C   -1.765100     -0.8118000     -0.7079000    
 C    1.641300       2.766900      -1.553100    
 C    2.889400      0.7646000      -2.355800    
 C    1.574200       3.358000      0.7885000    
 C    1.210000       3.615100     -0.5332000    
 C   -2.874200      -1.647800     -0.8380000    
 C   -1.897400      0.4311000     -8.8500001E-02
 C   -4.247600      1.9000000E-03  0.2708000    
 C   -4.115400      -1.241000     -0.3487000    
 C   -3.138600      0.8379000      0.4007000    
 C   -5.542100      0.4261000      0.7802000    
 H    3.286800      -2.252900       2.478800    
 H    3.385500      -3.478700      0.3574000    
 H    3.663200      -2.016900     -0.5601000    
 H    2.346000     -0.1452000       2.007500    
 H    4.053800      0.2353000       2.387000    
 H    1.457500      -1.249400      0.2074000    
 H    1.418700      -3.902800      -1.070700    
 H    1.722900      -2.365000      -1.902400    
 H  -0.7888000      -3.125700     -0.3702000    
 H  -0.6259000      -3.033000      -2.149200    
 H    5.432100      -1.569400       2.451300    
 H    2.654300       2.110100       2.128400    
 H    1.347700       2.978100      -2.577900    
 H    3.908000      0.4011000      -2.184600    
 H    2.214500     -9.0999998E-02  -2.443100    
 H    2.901200       1.291700      -3.316100    
 H    1.243600       4.022700       1.581400    
 H   0.5910000       4.475900     -0.7680000    
 H   -2.819200      -2.609900      -1.339000    
 H   -1.036500       1.085200      1.6300000E-02
 H   -4.933500      -1.936900     -0.4903000    
 H   -3.215900       1.810500      0.8795000    
 H   -7.532100     -0.1692000      0.9653000    
 H   -6.582800      -1.360100      0.1945000    


%chk=000037910-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037910

0 1
O 3.153286 0.233712 0.294058
O 5.584395 -1.651434 0.628560
O -0.480111 -1.718498 -0.867659
O -5.732775 2.006058 -0.853963
N 1.998272 -2.515309 0.231513
N -6.668178 0.171735 0.199721
C 4.211520 -1.802431 1.139703
C 3.462271 -2.554488 0.020923
C 3.558926 -0.461708 1.520983
C 1.242437 -3.382994 -0.693340
C -0.256020 -3.141089 -0.524244
C 2.499124 1.476554 0.415832
C 2.033183 2.026945 -0.814887
C 2.302115 2.147321 1.645464
C -1.767061 -1.189222 -0.721720
C 1.370548 3.273790 -0.766155
C 2.241469 1.272489 -2.112366
C 1.633547 3.394123 1.658412
C 1.166492 3.961915 0.455216
C -2.911721 -1.956562 -0.387619
C -1.884986 0.206940 -0.947459
C -4.298746 0.077101 -0.495712
C -4.164946 -1.316888 -0.278726
C -3.138890 0.824908 -0.838877
C -5.600525 0.823844 -0.405400
H 4.210962 -2.415517 2.068343
H 3.800773 -3.606757 0.020843
H 3.776888 -2.102450 -0.946754
H 2.664607 -0.655680 2.148157
H 4.273581 0.161320 2.099541
H 1.664725 -1.545455 0.120090
H 1.454351 -4.446116 -0.463009
H 1.511019 -3.217723 -1.766296
H -0.564057 -3.315040 0.525654
H -0.842057 -3.789425 -1.205668
H 6.163269 -1.280473 1.341660
H 2.655260 1.715655 2.586710
H 1.007999 3.711493 -1.704151
H 3.308230 1.028766 -2.266032
H 1.698765 0.307445 -2.102528
H 1.885220 1.862593 -2.973984
H 1.479431 3.913067 2.611015
H 0.647253 4.925932 0.462701
H -2.840434 -3.035629 -0.224557
H -0.986079 0.780526 -1.194166
H -5.039490 -1.939365 -0.053915
H -3.255768 1.898725 -1.015768
H -7.554822 0.671366 0.250678
H -6.581351 -0.729567 0.662580


