%chk=000049832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049832

0 1
 O   -3.558100       1.268600      0.2821000    
 O   -2.684400     -2.2399999E-02  -1.422100    
 N   -2.482700       2.136900      9.3599997E-02
 N    2.820700      0.4534000      0.7100000    
 N    3.163800     -0.2473000     -0.2711000    
 C   -1.155700       1.716900      0.2491000    
 C  -0.8674000      0.5129000      0.9021000    
 C  -0.1044000       2.495600     -0.2482000    
 C    1.496200      0.8750000      0.5572000    
 C   0.4540000      9.3400002E-02   1.055700    
 C    1.217000       2.076000     -9.4899997E-02
 C    6.852200     -0.3075000     -0.4633000    
 C   -2.862800       3.537600      3.6200002E-02
 C    4.495000     -0.6705000     -0.1172000    
 C    5.531000      0.1129000     -0.6161000    
 C   -4.690700     -0.6813000     -0.3170000    
 C    7.130800      -1.509200      0.1880000    
 C    4.767100      -1.870100      0.5332000    
 C   -3.548500      0.1852000     -0.5602000    
 C    6.088400      -2.290500      0.6863000    
 C    7.967200      0.5276000     -0.9958000    
 C   -4.592100      -2.051000     -0.5625000    
 C   -5.885100     -0.1428000      0.1614000    
 C   -5.688000      -2.882000     -0.3296000    
 C   -6.981000     -0.9738000      0.3944000    
 C   -6.882400      -2.343400      0.1488000    
 H   -1.650700     -0.1080000       1.328300    
 H  -0.2872000       3.431500     -0.7686000    
 H   0.6621000     -0.8408000       1.570900    
 H    2.022500       2.690900     -0.4881000    
 H   -3.953100       3.647400      4.6100002E-02
 H   -2.501500       4.005400     -0.8851000    
 H   -2.466500       4.084700      0.8982000    
 H    5.310000       1.049700      -1.122200    
 H    8.156000      -1.846700      0.3150000    
 H    3.960900      -2.485200      0.9239000    
 H    6.305200      -3.226000       1.193700    
 H    8.826500     -9.1100000E-02  -1.275900    
 H    7.658000       1.071500      -1.894900    
 H    8.288100       1.251400     -0.2402000    
 H   -3.667800      -2.487200     -0.9323000    
 H   -5.996600      0.9218000      0.3498000    
 H   -5.611200      -3.948500     -0.5201000    
 H   -7.912100     -0.5544000      0.7642000    
 H   -7.735900      -2.990300      0.3297000    


%chk=000049832-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049832

0 1
O -3.354869 0.946665 -0.282563
O -4.761932 0.827833 -2.173502
N -2.449907 1.801176 -1.093445
N 3.031665 0.624296 -0.176632
N 3.358449 -0.604037 0.153191
C -1.102154 1.497325 -0.796460
C -0.719270 0.159374 -0.463839
C -0.093537 2.499983 -0.907122
C 1.637149 0.836917 -0.368165
C 0.624165 -0.162079 -0.248673
C 1.254617 2.162178 -0.703456
C 7.126537 -0.125292 0.395384
C -2.944041 3.187302 -1.148095
C 4.762991 -0.815721 0.341097
C 5.766941 0.183925 0.187172
C -5.276315 -0.474891 -0.165147
C 7.477906 -1.456315 0.765088
C 5.128946 -2.136510 0.707185
C -4.490906 0.465950 -1.011917
C 6.487904 -2.451434 0.918660
C 8.207128 0.929955 0.225779
C -6.459602 -1.025508 -0.725865
C -4.879645 -0.835525 1.150620
C -7.237962 -1.931219 0.022167
C -5.663859 -1.742512 1.893351
C -6.841844 -2.291399 1.332675
H -1.491520 -0.608893 -0.377219
H -0.355257 3.533453 -1.148618
H 0.925777 -1.182068 0.007995
H 2.040545 2.920084 -0.787124
H -4.005273 3.167287 -1.434631
H -2.398320 3.714470 -1.948167
H -2.816099 3.729249 -0.188972
H 5.453099 1.193928 -0.096073
H 8.533357 -1.706364 0.931298
H 4.337924 -2.885336 0.818091
H 6.775277 -3.469765 1.202778
H 8.880531 0.680013 -0.616099
H 7.772458 1.923534 0.024138
H 8.835718 1.011246 1.132192
H -6.745117 -0.734722 -1.742226
H -3.969859 -0.406449 1.579141
H -8.148983 -2.356161 -0.412247
H -5.358471 -2.021771 2.907294
H -7.447542 -2.995873 1.913460


