%chk=000178278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178278

0 1
 O   -2.295100      -2.398100     -0.2083000    
 N  -0.7360000     -0.8737000      0.5852000    
 N  -8.1799999E-02  -3.061700     -0.1306000    
 C    4.402100       1.259600     -0.5420000    
 C    3.051400      0.7005000     -0.2464000    
 C   0.5716000     -0.3303000      0.2982000    
 C   -1.677300     -0.1286000       1.428000    
 C    2.423500     -0.1323000      -1.172500    
 C    2.416900       1.008400      0.9571000    
 C    1.161100     -0.6570000     -0.8954000    
 C    1.154600      0.4837000       1.234300    
 C    5.467800      0.7882000      0.4656000    
 C    4.399100       2.798200     -0.6173000    
 C   -2.548900      0.7895000      0.6207000    
 C   -1.117800      -2.126400      5.6600001E-02
 C   -2.134700       2.093900      0.3783000    
 C   -3.761400      0.3258000      0.1240000    
 C  -0.1374000      -4.085300      -1.165000    
 C    1.120800      -3.069400      0.7005000    
 C   -2.944600       2.946900     -0.3715000    
 C   -4.571200       1.178700     -0.6258000    
 C   -4.162900       2.489300     -0.8736000    
 H    4.726500      0.9005000      -1.528300    
 H   -1.202200      0.4082000       2.250900    
 H   -2.319500     -0.8662000       1.929800    
 H    2.897200     -0.3700000      -2.121400    
 H    2.891800       1.648000       1.696100    
 H   0.6762000      -1.239800      -1.671300    
 H   0.7259000      0.7222000       2.198600    
 H    5.497500     -0.3060000      0.5168000    
 H    6.461400       1.137900      0.1649000    
 H    5.273000       1.166100       1.475100    
 H    3.660900       3.150300      -1.346400    
 H    5.381900       3.169200     -0.9278000    
 H    4.160300       3.255100      0.3491000    
 H   -1.190500       2.464200      0.7665000    
 H   -4.106500     -0.6841000      0.3227000    
 H  -0.1630000      -5.069200     -0.6886000    
 H   0.7505000      -4.002000      -1.798000    
 H   -1.031000      -3.959400      -1.782200    
 H    1.236500      -4.089800       1.085600    
 H    1.042100      -2.430400       1.581900    
 H    2.012000      -2.855100      0.1064000    
 H   -2.627200       3.967600     -0.5635000    
 H   -5.521900      0.8240000      -1.012900    
 H   -4.794100       3.153800      -1.456400    


%chk=000178278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178278

0 1
O -2.377586 -2.665166 0.025537
N -0.728916 -1.187932 0.825357
N -0.159186 -3.391892 0.061551
C 4.161562 1.598535 -0.737918
C 2.886689 0.860367 -0.322550
C 0.487917 -0.522295 0.438923
C -1.797894 -0.364980 1.476643
C 2.171390 0.060702 -1.248494
C 2.370655 0.955017 0.996517
C 0.986481 -0.613778 -0.885040
C 1.196980 0.273871 1.376077
C 5.395620 1.113556 0.069541
C 3.997288 3.137438 -0.616598
C -2.343562 0.757088 0.598168
C -1.147026 -2.429714 0.274837
C -2.064455 2.112459 0.901652
C -3.146466 0.455100 -0.533524
C -0.510456 -4.584882 -0.725270
C 1.148766 -3.424334 0.733898
C -2.575074 3.153670 0.092193
C -3.656169 1.493825 -1.342592
C -3.372770 2.846144 -1.033110
H 4.347724 1.365340 -1.805963
H -1.390421 0.053767 2.414682
H -2.604823 -1.070733 1.734564
H 2.537281 -0.021374 -2.279795
H 2.894878 1.562653 1.744244
H 0.438101 -1.203212 -1.627556
H 0.834614 0.351416 2.407233
H 5.543178 0.024019 -0.040032
H 6.312802 1.625442 -0.276972
H 5.275270 1.331941 1.147285
H 3.138429 3.495544 -1.211946
H 4.907989 3.655069 -0.971629
H 3.827796 3.436471 0.434765
H -1.442952 2.354923 1.773178
H -3.359206 -0.596297 -0.759558
H -0.589204 -5.481131 -0.077808
H 0.261410 -4.774072 -1.495956
H -1.486578 -4.420717 -1.204736
H 1.336376 -4.451408 1.101848
H 1.156992 -2.739736 1.594971
H 1.976260 -3.136226 0.056395
H -2.351695 4.198277 0.337918
H -4.278963 1.251394 -2.211547
H -3.771446 3.650852 -1.661685


