%chk=000150446.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150446

0 1
 O    5.029300     -0.2527000       1.152800    
 O   -1.192400       3.201400     -0.1788000    
 O   -2.996300      -1.264000      0.2852000    
 O   -3.414900       1.456600      0.5352000    
 O   -3.756800      -3.416500      0.4700000    
 N    2.571900     -0.7097000     -0.2088000    
 C    1.636700     -0.4776000      -1.307500    
 C    3.841400      -1.254100     -0.7103000    
 C    2.816800      0.5314000      0.5389000    
 C   0.3103000      2.3100000E-02 -0.8240000    
 C    4.804300      -1.476700      0.4523000    
 C    3.804700      0.2675000       1.671800    
 C   8.1400000E-02   1.407000     -0.6919000    
 C  -0.7234000     -0.8681000     -0.4958000    
 C   -1.161800       1.840100     -0.2402000    
 C   -1.948500     -0.3741000     -4.8000000E-02
 C   -2.213000      0.9907000      9.6000001E-02
 C   0.8424000       2.585200     -0.9145000    
 C  -0.5495000      -2.307500     -0.6117000    
 C   2.5200000E-02   3.642700     -0.5889000    
 C   -1.546200      -3.137200     -0.2943000    
 C   -2.850300      -2.643000      0.1820000    
 C   -3.411300       2.235300       1.730300    
 H    1.520900      -1.371900      -1.929300    
 H    2.058400      0.2597000      -2.006600    
 H    4.294700     -0.5614000      -1.431400    
 H    3.671100      -2.210400      -1.218000    
 H    1.915900      0.9070000       1.028800    
 H    3.240700       1.301200     -0.1160000    
 H    4.427600      -2.234200       1.150400    
 H    5.770400      -1.826000      7.4299999E-02
 H    4.035600       1.202900       2.191900    
 H    3.395600     -0.4310000       2.412000    
 H    1.852600       2.670300      -1.286900    
 H   0.3878000      -2.742800     -0.9311000    
 H   0.1529000       4.715200     -0.5995000    
 H   -1.417700      -4.211600     -0.3704000    
 H   -2.699000       1.841200       2.463200    
 H   -4.413700       2.192100       2.165900    
 H   -3.182400       3.279900       1.501200    


%chk=000150446-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150446

0 1
O 5.130672 -1.113005 1.152207
O -1.548490 3.371048 -0.132486
O -2.676672 -1.311070 0.769079
O -3.522209 1.195024 0.906416
O -3.227216 -3.514461 1.174051
N 2.674654 -0.711970 -0.342230
C 1.754334 -0.028484 -1.293980
C 3.923867 -1.156798 -1.015669
C 2.994258 0.117849 0.849511
C 0.401529 0.318108 -0.693065
C 4.803110 -1.935265 -0.022833
C 3.887067 -0.678610 1.813405
C -0.048618 1.654513 -0.623907
C -0.494032 -0.687129 -0.212849
C -1.341644 1.969676 -0.095550
C -1.785107 -0.340085 0.306018
C -2.254585 1.008011 0.382914
C 0.548486 2.933998 -0.995568
C -0.155550 -2.100455 -0.218034
C -0.363008 3.915677 -0.691025
C -1.031603 -3.061381 0.230604
C -2.356437 -2.732351 0.749422
C -4.062693 2.564501 1.024053
H 1.619756 -0.713912 -2.155369
H 2.218022 0.902044 -1.703240
H 4.505093 -0.287259 -1.414221
H 3.660709 -1.810233 -1.870156
H 2.052571 0.395280 1.356777
H 3.519846 1.061425 0.555217
H 4.272441 -2.857347 0.299483
H 5.771352 -2.204538 -0.475946
H 4.208244 -0.056295 2.664494
H 3.332022 -1.565686 2.187218
H 1.530797 3.097241 -1.433068
H 0.844916 -2.380385 -0.558792
H -0.362367 4.997966 -0.787454
H -0.776391 -4.124171 0.227926
H -3.430243 3.183882 1.682721
H -5.057884 2.422480 1.469018
H -4.147599 3.042169 0.033209


