%chk=000090003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090003

0 1
 O   -2.945300      0.2271000      -1.061800    
 O    1.938600      -2.174800      0.2744000    
 O   -1.878800     -0.7333000       1.904600    
 O    2.768800       1.887500      -1.861400    
 O   -5.178300     -0.1625000      -1.508000    
 O    3.675300      -3.468700     -0.5296000    
 N  -0.5763000      -1.206500     -0.5450000    
 N    2.064100       2.779800      0.2039000    
 C   -1.064900      -1.013600      -1.895100    
 C  -0.4128000      -2.553300     -3.7099998E-02
 C  -0.2504000     -9.4700001E-02  0.2618000    
 C   -2.577500     -0.8725000      -1.885300    
 C   0.9932000      -3.050800     -0.3264000    
 C  -0.9088000      0.1215000       1.472300    
 C   0.7405000      0.7913000     -0.1611000    
 C    1.072900       1.893500      0.6265000    
 C  -0.5765000       1.223800       2.260000    
 C   0.4143000       2.109700       1.837000    
 C   -2.496900     -0.4325000       3.153600    
 C    2.827700       2.728000     -0.9699000    
 C   -4.286700      0.4721000     -0.9606000    
 C    3.253400      -2.503800      9.3300000E-02
 C    3.798300       3.879100      -1.056700    
 C   -4.523300       1.651300     -6.6500001E-02
 C    4.129100      -1.498000      0.7769000    
 H  -0.6197000     -0.1222000      -2.352300    
 H  -0.7835000      -1.861300      -2.531100    
 H  -0.5868000      -2.604500       1.042700    
 H   -1.140900      -3.229400     -0.5008000    
 H   -2.935200     -0.7020000      -2.907200    
 H   -3.040800      -1.786600      -1.494900    
 H    1.115300      -4.060100      8.3400004E-02
 H    1.168600      -3.084200      -1.408400    
 H    1.230600      0.5653000      -1.097900    
 H   -1.043400       1.456500       3.210700    
 H   0.6641000       2.964900       2.460100    
 H    2.248400       3.557700      0.8341000    
 H   -3.243900      -1.211500       3.338200    
 H   -3.035600      0.5205000       3.120600    
 H   -1.780000     -0.4790000       3.980500    
 H    4.469900       3.864100     -0.1937000    
 H    3.249100       4.824600      -1.076500    
 H    4.393300       3.794200      -1.970200    
 H   -4.179500       1.423700      0.9451000    
 H   -5.594100       1.871400     -3.1800002E-02
 H   -4.002400       2.527000     -0.4619000    
 H    3.980700     -0.5127000      0.3277000    
 H    5.177200      -1.785000      0.6528000    
 H    3.900100      -1.472200       1.845200    


%chk=000090003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090003

0 1
O -3.178477 -0.084551 -1.806329
O 1.587333 -2.717562 0.052026
O -1.943802 -0.269305 2.123766
O 3.522202 1.655867 -1.021352
O -4.035095 -1.849031 -0.529057
O 2.039608 -2.268179 -2.197554
N -0.684835 -0.782724 -0.307215
N 2.406832 3.006375 0.540887
C -0.752838 -0.579359 -1.765125
C -0.834806 -2.150183 0.228141
C -0.209546 0.259212 0.527990
C -2.118335 -0.964524 -2.365004
C 0.209612 -3.155206 -0.302944
C -0.835421 0.536953 1.793178
C 0.864901 1.090708 0.118578
C 1.321615 2.156285 0.931286
C -0.370568 1.595524 2.601802
C 0.702151 2.408136 2.177391
C -2.578956 -0.047222 3.423260
C 3.423076 2.742722 -0.372425
C -4.016757 -0.632076 -0.827617
C 2.398514 -2.247883 -0.994296
C 4.434671 3.873243 -0.552227
C -4.866771 0.448936 -0.200104
C 3.711339 -1.715902 -0.477866
H -0.581889 0.491526 -1.965570
H 0.031083 -1.145978 -2.313180
H -0.759874 -2.095468 1.323823
H -1.842076 -2.556327 0.002459
H -2.114499 -0.770792 -3.450745
H -2.390717 -2.017142 -2.173763
H 0.068531 -4.128141 0.198935
H 0.154882 -3.290678 -1.397564
H 1.384762 0.877177 -0.817025
H -0.850129 1.813345 3.560612
H 1.057439 3.221516 2.821476
H 2.472376 3.890007 1.050105
H -3.391026 -0.787496 3.473028
H -2.999997 0.975100 3.499649
H -1.866900 -0.214392 4.255034
H 4.262194 4.739863 0.109778
H 4.403748 4.218526 -1.600415
H 5.448547 3.478496 -0.369130
H -4.294847 0.895212 0.633937
H -5.793228 0.011160 0.201456
H -5.094889 1.245724 -0.924716
H 3.709748 -0.613213 -0.576180
H 4.535052 -2.100004 -1.102701
H 3.867259 -1.989375 0.575708


