%chk=000101312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101312

0 1
 O   3.6499999E-02   1.950900       1.880100    
 N  -0.1656000      0.1397000      0.4162000    
 C   -1.373200     -0.4109000       1.014900    
 C   0.3626000     -0.5938000     -0.7320000    
 C   -2.617000      0.1536000      0.3919000    
 C   0.7196000      -2.008800     -0.3791000    
 C   0.4528000       1.302500      0.9110000    
 C    1.666500       1.781900      0.2689000    
 C   -3.189700       1.304300      0.9212000    
 C   0.6310000      -3.002200      -1.347200    
 C   -3.183800     -0.4798000     -0.7078000    
 C    1.134900      -2.311500      0.9124000    
 C    1.585900       2.684900     -0.7912000    
 C    2.911800       1.339300      0.7148000    
 C   -4.345300       1.828900      0.3425000    
 C   0.9625000      -4.316700      -1.019500    
 C   -4.339500      4.5000002E-02  -1.286500    
 C    1.466600      -3.626200       1.240100    
 C   -4.920200       1.199400     -0.7614000    
 C    1.380400      -4.628800      0.2742000    
 C    2.750700       3.145400      -1.405200    
 C    4.076500       1.799900      0.1008000    
 C    3.996000       2.702900     -0.9591000    
 H   -1.368400     -0.1670000       2.085300    
 H   -1.403000      -1.503800      0.9665000    
 H    1.246900     -0.1238000      -1.166900    
 H  -0.4104000     -0.5765000      -1.508600    
 H   -2.755300       1.803400       1.782500    
 H   0.3081000      -2.769400      -2.358100    
 H   -2.744800      -1.382600      -1.123000    
 H    1.237800      -1.554100       1.683500    
 H   0.6207000       3.035900      -1.147000    
 H    2.986700      0.6362000       1.540400    
 H   -4.798000       2.727300      0.7519000    
 H   0.8960000      -5.097300      -1.771700    
 H   -4.788000     -0.4461000      -2.145200    
 H    1.797300      -3.868600       2.245800    
 H   -5.820200       1.607600      -1.211700    
 H    1.640000      -5.652100      0.5290000    
 H    2.688000       3.848300      -2.230700    
 H    5.046100       1.455200      0.4480000    
 H    4.902900       3.061300      -1.437300    


%chk=000101312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101312

0 1
O -0.132091 2.275932 1.706573
N -0.183810 0.264165 0.535612
C -1.442831 -0.108587 1.245014
C 0.141583 -0.541835 -0.655649
C -2.700374 0.182998 0.431599
C 0.606615 -1.967743 -0.348851
C 0.418776 1.478859 0.874780
C 1.749729 1.848892 0.262846
C -3.103635 1.524174 0.194711
C 0.498239 -2.962628 -1.353028
C -3.481475 -0.873765 -0.099025
C 1.170231 -2.319303 0.902641
C 1.959764 3.219776 -0.039899
C 2.820617 0.932045 0.091742
C -4.264606 1.797428 -0.560487
C 0.957442 -4.277502 -1.118658
C -4.646298 -0.601176 -0.854318
C 1.623185 -3.636457 1.143007
C -5.039460 0.736044 -1.088000
C 1.522969 -4.619622 0.132309
C 3.202346 3.661037 -0.539943
C 4.070087 1.378698 -0.392542
C 4.262437 2.740703 -0.719023
H -1.449006 0.470144 2.183832
H -1.386149 -1.186056 1.484739
H 0.913657 -0.011890 -1.239403
H -0.760146 -0.588589 -1.300016
H -2.504694 2.339890 0.615928
H 0.051346 -2.706711 -2.322388
H -3.180346 -1.913233 0.085229
H 1.238165 -1.561903 1.693068
H 1.142670 3.925683 0.140324
H 2.696091 -0.122770 0.358337
H -4.570794 2.835577 -0.732803
H 0.868828 -5.034666 -1.905954
H -5.243687 -1.427314 -1.256562
H 2.052210 -3.894056 2.117982
H -5.942066 0.950206 -1.671592
H 1.874641 -5.640513 0.318012
H 3.348506 4.719944 -0.779802
H 4.892407 0.664169 -0.508764
H 5.231329 3.083754 -1.098878


