%chk=000161814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161814

0 1
 O  -4.4199999E-02  5.3500000E-02  -1.251600    
 O   -1.187100     -0.9194000       2.006700    
 O    2.661900      0.8583000      -1.138000    
 O    6.206500       1.874300      0.7251000    
 N   -1.744000      -1.670600     -0.1104000    
 N    1.772800      -1.203000     -0.4892000    
 N    5.083900      0.2295000     -0.5063000    
 N   -3.875900      -1.710400       2.498200    
 N   -4.051100       2.011700     -0.3328000    
 N   -2.074800       2.957600     -0.6955000    
 C  -0.4214000      -2.169800     -0.4632000    
 C  -0.6526000      -3.046600      -1.688600    
 C   -1.876700      -2.417500      -2.349200    
 C   -2.712900      -1.953800      -1.166100    
 C   0.4297000     -0.9782000     -0.7840000    
 C   -2.032700      -1.145500       1.139600    
 C   -3.487000     -0.8403000       1.395900    
 C    4.123500     -0.8079000     -0.2567000    
 C    4.213100      -1.030600       1.241000    
 C   -3.687800      0.6329000       1.756100    
 C    2.793600     -0.2753000     -0.6847000    
 C    4.682600      0.3143000       1.795200    
 C    5.445200      0.9228000      0.6438000    
 C   -3.235500       1.571200      0.6711000    
 C   -2.021300       2.168100      0.4260000    
 C   -3.310600       2.841200      -1.128300    
 C  -0.9974000       3.733300      -1.254200    
 H  -2.7999999E-03  -2.731400      0.3791000    
 H   0.2050000      -3.093200      -2.366400    
 H  -0.8974000      -4.068100      -1.372900    
 H   -2.416000      -3.114500      -2.996600    
 H   -1.572700      -1.557400      -2.957600    
 H   -3.378400      -2.750400     -0.8162000    
 H   -3.298200      -1.062800      -1.410800    
 H   -4.137200      -1.072400      0.5522000    
 H    4.380200      -1.697900     -0.8389000    
 H    3.286600      -1.363800       1.717600    
 H    4.981800      -1.785700       1.450400    
 H    2.030000      -2.115400     -0.1204000    
 H   -4.748400      0.8255000       1.962900    
 H   -3.141600      0.8845000       2.675300    
 H    5.325800      0.1910000       2.669900    
 H    3.836000      0.9635000       2.039000    
 H    5.435400      0.4637000      -1.429700    
 H   -4.844300      -1.525600       2.757400    
 H   -3.844100      -2.683900       2.196800    
 H   -1.093400       2.092300      0.9777000    
 H   -3.714500       3.332400      -2.004000    
 H  -0.8105000       4.584600     -0.5951000    
 H   -1.279800       4.082900      -2.250400    
 H  -0.1091000       3.100100      -1.322100    


%chk=000161814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161814

0 1
O 0.276495 -0.783992 -2.934157
O -0.287104 -2.004321 1.307785
O 2.391739 0.718530 -1.575904
O 4.848659 2.503690 1.683207
N -1.784487 -1.867196 -0.457872
N 1.210644 -1.172413 -0.792771
N 4.281081 0.578975 0.440910
N -2.543915 -1.691251 3.112120
N -2.849736 1.470248 -0.160258
N -0.942792 2.405720 -0.956609
C -0.803136 -2.442293 -1.437645
C -1.680300 -2.840613 -2.641242
C -2.844499 -1.818326 -2.598999
C -3.121876 -1.620857 -1.092818
C 0.266472 -1.367829 -1.824168
C -1.455383 -1.674841 0.853835
C -2.467384 -1.005371 1.811802
C 3.271814 -0.476601 0.394235
C 2.689917 -0.467612 1.856557
C -2.018973 0.477269 2.037786
C 2.247692 -0.220491 -0.752011
C 3.008414 0.948774 2.392894
C 4.155752 1.468265 1.506558
C -1.808104 1.255742 0.766530
C -0.628501 1.831919 0.280728
C -2.290157 2.162477 -1.178294
C 0.002817 3.067171 -1.872274
H -0.288353 -3.298749 -0.963003
H -1.113789 -2.785787 -3.583685
H -2.054985 -3.870970 -2.503138
H -3.740410 -2.169360 -3.136965
H -2.514492 -0.867739 -3.051956
H -3.846898 -2.369172 -0.716140
H -3.476927 -0.603261 -0.855490
H -3.474924 -0.993405 1.364359
H 3.729779 -1.462788 0.177667
H 1.619278 -0.724388 1.895306
H 3.231521 -1.224004 2.449776
H 0.972906 -1.690234 0.087177
H -2.798522 0.941261 2.668119
H -1.081002 0.463440 2.624736
H 3.314627 0.959283 3.450953
H 2.157400 1.648805 2.293334
H 4.848011 0.820830 -0.373240
H -3.081793 -2.564772 3.088311
H -1.611422 -1.840797 3.517808
H 0.373712 1.888045 0.696468
H -2.807284 2.501444 -2.073199
H 0.433448 3.967202 -1.400302
H -0.535437 3.368816 -2.785110
H 0.812609 2.369326 -2.144612


