%chk=000227309.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227309

0 1
 O   -2.805600      -1.898000       1.341100    
 O   -2.856500       1.869600       1.240200    
 O   -6.390900      0.5258000      0.7241000    
 N   -4.563500     -9.8600000E-02 -0.1392000    
 N   -1.592500      -1.679500     -0.6216000    
 N   -1.593500       1.499200     -0.6675000    
 N   -5.882000     -0.1168000     -0.2021000    
 N  -0.4189000      -1.961200     -1.0500000E-02
 N  -0.4446000       1.885900     -6.7199998E-02
 C   -3.965000      -1.304300     -0.6937000    
 C   -3.959800       1.091200     -0.7634000    
 C   -2.751100      -1.668400      0.1347000    
 C   -2.767300       1.520900      6.4700000E-02
 C    1.966900      -2.228800     -0.3236000    
 C    1.936600       2.210100     -0.3623000    
 C    3.039500      -2.201800      -1.214900    
 C    3.028900       2.132700      -1.226300    
 C    2.185900      -2.522700       1.022300    
 C    2.115000       2.648500      0.9499000    
 C   0.6027000      -1.946100     -0.8036000    
 C   0.5942000       1.829100     -0.8358000    
 C    4.331000      -2.469100     -0.7606000    
 C    4.299600       2.493500     -0.7782000    
 C    3.477400      -2.789800       1.476600    
 C    3.385700       3.009400       1.397900    
 C    4.549900      -2.763000      0.5851000    
 C    4.478000       2.931900      0.5338000    
 H   -4.633200      -2.173300     -0.5919000    
 H   -3.738500      -1.232100      -1.764800    
 H   -3.709800      0.9466000      -1.821700    
 H   -4.642400       1.953700     -0.7359000    
 H   -1.579300      -1.476200      -1.616400    
 H   -1.552300       1.203000      -1.637900    
 H    2.884300      -1.972800      -2.266100    
 H    2.905300       1.791600      -2.250900    
 H    1.369700      -2.549800       1.739200    
 H    1.282600       2.718400       1.645000    
 H   0.5006000      -1.718300      -1.881300    
 H   0.5240000       1.489500      -1.886200    
 H    5.166200      -2.447300      -1.454500    
 H    5.150300       2.432300      -1.450600    
 H    3.648300      -3.018300       2.524500    
 H    3.525100       3.350600       2.419600    
 H    5.555500      -2.970500      0.9390000    
 H    5.467500       3.212400      0.8828000    


%chk=000227309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227309

0 1
O -0.632535 -0.296813 -0.055151
O -3.584509 3.742477 -0.521944
O -4.558123 -0.497113 1.532055
N -3.492787 0.024482 -0.394209
N -0.850073 -2.213710 -1.390910
N -1.848711 2.295773 0.159171
N -3.770827 -0.911382 0.615816
N 0.396717 -2.728706 -1.050870
N -0.937744 3.330805 0.367138
C -2.635965 -0.526093 -1.454522
C -4.081245 1.373197 -0.434065
C -1.280982 -1.000243 -0.880111
C -3.132937 2.594090 -0.274098
C 1.982451 -4.555430 -1.267626
C 1.307064 3.976420 1.006085
C 2.257440 -5.825056 -1.846699
C 2.598523 3.551496 1.423578
C 2.959233 -3.943615 -0.429733
C 1.054996 5.369251 0.840402
C 0.696278 -3.910601 -1.549831
C 0.269341 2.966986 0.756406
C 3.485134 -6.473304 -1.596448
C 3.618458 4.495239 1.671254
C 4.181951 -4.594866 -0.183071
C 2.075155 6.306683 1.088494
C 4.450354 -5.860251 -0.764576
C 3.360763 5.875575 1.504541
H -3.161248 -1.337775 -1.993127
H -2.430520 0.282874 -2.177675
H -4.634303 1.528270 -1.378004
H -4.813535 1.410267 0.395788
H -1.493679 -2.752649 -1.991957
H -1.535494 1.305017 0.269181
H 1.508579 -6.302258 -2.491619
H 2.798655 2.480266 1.553048
H 2.735924 -2.967732 0.012892
H 0.056729 5.684269 0.519954
H -0.005255 -4.471642 -2.203152
H 0.552186 1.907764 0.907077
H 3.689213 -7.450929 -2.045957
H 4.609601 4.157040 1.993477
H 4.930081 -4.122243 0.462440
H 1.874350 7.376272 0.960141
H 5.403986 -6.362562 -0.568721
H 4.151311 6.609659 1.696935


