%chk=000171781.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171781

0 1
 O  -0.2271000      -1.694800      -1.586000    
 O    1.607300       2.650500      -1.269800    
 O    4.456500      -2.409300      0.3138000    
 O    4.011300       2.874000     -0.3477000    
 N    2.060600      -2.857000     -0.5830000    
 C   -5.120100     -0.8199000       1.083100    
 C   -3.826900      -1.050900      0.3777000    
 C   -5.852500      0.4688000      0.5807000    
 C   -6.013200      -2.099700      0.9188000    
 C   -5.021000     -0.6364000       2.644700    
 C   -3.808600      -1.225200      -1.005900    
 C   -2.635300      -1.092900       1.101800    
 C   -5.197200       1.652200      0.7175000    
 C   -7.091500      0.3128000      4.2900000E-02
 C    3.076600     -0.6149000     -0.3919000    
 C    2.963900      0.7663000     -0.5639000    
 C   -1.426600      -1.480000     -0.9312000    
 C   -2.598800      -1.441600      -1.665800    
 C   -1.425500      -1.309200      0.4420000    
 C    2.006400      -1.450500     -0.7333000    
 C   0.8296000     -0.9027000      -1.244700    
 C    5.439900     -0.3106000      0.5053000    
 C    5.327000       1.070800      0.3339000    
 C    4.318800      -1.203900      0.1486000    
 C    4.084900       1.659700     -0.2068000    
 C    1.781300       1.311900      -1.077600    
 C   -5.849700       2.800700      0.2696000    
 C   -7.743900       1.461400     -0.4051000    
 C   0.7175000      0.4756000      -1.416700    
 C   -7.122900       2.705400     -0.2917000    
 C    6.622500     -0.8561000       1.018900    
 C    6.396900       1.906400      0.6758000    
 C    7.686300     -1.9600000E-02   1.358500    
 C    7.573600       1.358700       1.187500    
 H   -6.951500      -2.029000       1.482700    
 H   -6.252200      -2.323600     -0.1274000    
 H   -5.483300      -2.980500       1.305500    
 H   -4.615300      -1.535000       3.125600    
 H   -4.386100      0.2091000       2.933500    
 H   -6.010800     -0.4559000       3.083500    
 H   -4.722800      -1.192900      -1.592300    
 H   -2.594100     -0.9686000       2.178200    
 H   -4.205200       1.739500       1.146200    
 H   -7.621700     -0.6215000     -7.5599998E-02
 H   -2.585900      -1.575800      -2.743200    
 H  -0.5143000      -1.356500       1.030700    
 H   -5.365700       3.769200      0.3564000    
 H   -8.735000       1.388300     -0.8436000    
 H  -0.1964000      0.8996000      -1.827100    
 H   -7.630700       3.599600     -0.6412000    
 H    6.738000      -1.926900       1.162700    
 H    6.335900       2.984400      0.5526000    
 H    1.257500      -3.416600     -0.8393000    
 H    2.883600      -3.310400     -0.2134000    
 H    8.603500     -0.4434000       1.756900    
 H    8.403200       2.007700       1.452800    
 H   0.7196000       2.816400      -1.630300    


%chk=000171781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171781

0 1
O -0.117700 -1.727683 -0.411122
O 1.790477 2.690349 0.544197
O 4.882286 -2.489148 -0.634329
O 4.426502 2.895336 0.566992
N 2.311461 -2.782892 -0.658355
C -5.611427 -0.696981 1.170254
C -4.122686 -0.889077 0.785195
C -6.269438 0.338320 0.221267
C -6.293807 -2.095492 1.086469
C -5.784024 -0.174222 2.627434
C -3.786574 -1.148889 -0.571629
C -3.073138 -0.883328 1.738607
C -5.661580 1.613552 0.060178
C -7.483816 0.090346 -0.465522
C 3.410533 -0.614513 -0.196559
C 3.276025 0.796788 0.117554
C -1.439414 -1.378600 0.006129
C -2.456702 -1.392989 -0.968992
C -1.732973 -1.127009 1.360699
C 2.249767 -1.446168 -0.360094
C 0.954322 -0.839995 -0.198632
C 5.944232 -0.386469 -0.177756
C 5.822046 0.995516 0.129900
C 4.737617 -1.233457 -0.352169
C 4.482373 1.652013 0.291136
C 1.967965 1.335780 0.252650
C -6.246354 2.606332 -0.752656
C -8.074498 1.082915 -1.283836
C 0.815310 0.511773 0.095268
C -7.461166 2.345633 -1.430513
C 7.230426 -0.968881 -0.320789
C 6.990718 1.781535 0.291262
C 8.385283 -0.181675 -0.158219
C 8.264607 1.199432 0.149085
H -7.346406 -2.045872 1.420002
H -6.269287 -2.504567 0.060791
H -5.764023 -2.806392 1.744806
H -5.416679 -0.909732 3.366831
H -5.254252 0.781626 2.787632
H -6.855441 -0.001097 2.829786
H -4.577233 -1.141473 -1.330340
H -3.289143 -0.693482 2.794008
H -4.713056 1.824666 0.569225
H -7.982539 -0.879542 -0.372256
H -2.199536 -1.593910 -2.013280
H -0.932760 -1.134761 2.108094
H -5.756717 3.580959 -0.860591
H -9.013475 0.865857 -1.805988
H -0.187413 0.943247 0.199083
H -7.918016 3.113979 -2.064016
H 7.288748 -2.035291 -0.558576
H 6.864184 2.842675 0.527535
H 1.444367 -3.306627 -0.761230
H 3.258784 -3.181439 -0.765399
H 9.377227 -0.633118 -0.268952
H 9.164151 1.811844 0.275329
H 0.822259 2.901499 0.598301


