%chk=000163402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163402

0 1
 O    1.251200     -0.5019000     -0.6148000    
 O    2.690300       2.103400      8.9800000E-02
 O    2.699200      -2.198900      0.2047000    
 O    1.975600     -0.6609000       2.309300    
 O  -0.3377000       2.781400     -0.3298000    
 O   -2.050500      -1.636000      -1.275700    
 O   -5.058700      4.1000000E-03   1.796000    
 N   -2.103500      0.6148000     -0.8070000    
 N   -3.591000     -0.8750000      0.2797000    
 N   -4.147500      0.2971000       1.014500    
 C   0.7276000      0.6673000      4.7200002E-02
 C    1.874300       1.245800      0.8768000    
 C    2.645600     -4.8000002E-03   1.237900    
 C    2.534000     -0.8147000     -4.8500001E-02
 C   0.1335000       1.605400     -0.9880000    
 C   -1.041200      0.9571000      -1.715700    
 C    2.597400      -2.967800     -0.9881000    
 C    3.595300       2.846200      0.8953000    
 C  -0.4767000       3.860800      -1.240000    
 C    2.782500      -4.431400     -0.6486000    
 C   -2.549000     -0.6985000     -0.6442000    
 C   -4.150800      -2.193400      0.5493000    
 H  -4.1900001E-02  0.3148000      0.7458000    
 H    1.470800       1.789600       1.739600    
 H    3.691000      0.1287000       1.525100    
 H    3.295300     -0.4771000     -0.7638000    
 H   0.9010000       1.857200      -1.732300    
 H  -0.7048000      7.2800003E-02  -2.267200    
 H   -1.481300       1.633500      -2.453900    
 H    2.037000     -8.1799999E-02   3.088200    
 H   -2.559100       1.378600     -0.3210000    
 H    3.369800      -2.653200      -1.698700    
 H    1.612500      -2.828500      -1.447100    
 H    3.053800       3.449900       1.630400    
 H    4.317500       2.198300       1.397600    
 H    4.149800       3.524600      0.2407000    
 H   0.4583000       4.049400      -1.777000    
 H  -0.7175000       4.757200     -0.6608000    
 H   -1.295400       3.695400      -1.944300    
 H    3.757800      -4.598000     -0.1794000    
 H    2.023800      -4.759400      6.9700003E-02
 H    2.711700      -5.053200      -1.545400    
 H   -4.011200      -2.431900       1.608000    
 H   -3.658500      -2.963200     -5.0600000E-02
 H   -5.217000      -2.186800      0.3041000    


%chk=000163402-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163402

0 1
O 1.440632 -0.494287 -0.659178
O 2.756789 2.159285 -0.167231
O 2.821876 -2.227766 0.319472
O 2.388131 -0.590136 2.361264
O -0.485958 2.602575 -0.029938
O -2.744212 -1.521838 -1.852644
O -4.934016 -0.100110 1.934194
N -2.088057 0.430101 -0.728881
N -3.899546 -0.862088 0.094593
N -4.001390 0.112575 1.080188
C 0.860275 0.631483 0.110605
C 2.062898 1.301669 0.803844
C 2.938682 0.070654 1.176085
C 2.760043 -0.856423 -0.053274
C 0.105239 1.535020 -0.870205
C -0.999827 0.791395 -1.644147
C 2.729221 -3.147818 -0.841569
C 3.653991 3.128491 0.462441
C -0.677669 3.866489 -0.747584
C 2.919408 -4.563643 -0.303819
C -2.856805 -0.680967 -0.918147
C -4.794215 -2.029706 0.052326
H 0.177771 0.236278 0.887930
H 1.752377 1.888046 1.691639
H 4.005043 0.337662 1.313334
H 3.513045 -0.621146 -0.837828
H 0.832318 1.965625 -1.584905
H -0.586351 -0.124436 -2.098631
H -1.382706 1.433375 -2.463728
H 2.610801 -0.044837 3.157722
H -2.291989 1.060403 0.055472
H 3.516874 -2.882275 -1.581720
H 1.739225 -3.019823 -1.318520
H 3.097828 3.800842 1.148640
H 4.473963 2.637237 1.026843
H 4.089583 3.719182 -0.358678
H 0.290386 4.253037 -1.125114
H -1.100081 4.571140 -0.013969
H -1.384182 3.760090 -1.596068
H 3.905540 -4.669815 0.180353
H 2.141163 -4.795248 0.443084
H 2.847543 -5.298688 -1.126290
H -4.694546 -2.613784 0.983406
H -4.502165 -2.632049 -0.819191
H -5.843628 -1.698771 -0.034379


