%chk=000158546.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158546

0 1
 O   -2.587700      0.2513000     -0.6548000    
 O   -1.568800      0.1041000       1.439100    
 O   -6.272900      0.8956000       1.039800    
 O   -4.105100     -0.3245000       2.618700    
 O   -6.085100      8.9299999E-02  -1.729800    
 O   0.3566000       1.905900      0.9312000    
 O   -2.180800     -0.2154000      -3.332900    
 N    3.742500      -3.121400     -7.5099997E-02
 C    3.466200      -1.720900     -0.4291000    
 C    2.131300      -1.223400      0.1010000    
 C    4.611400     -0.8421000      9.6600004E-02
 C    1.112500      -2.148600      0.4038000    
 C    1.912000      0.1709000      0.2198000    
 C   -5.206800      0.1030000      0.5147000    
 C   -3.948600      0.3210000       1.355300    
 C    1.374100      -3.631200      0.3220000    
 C   -4.980000      0.5188000     -0.9389000    
 C   -2.713500     -0.2624000      0.6692000    
 C    2.627200      -3.974400     -0.4832000    
 C   -3.693500     -0.1029000      -1.487200    
 C    4.339100      0.6199000     -0.1784000    
 C    3.013200       1.109100     -0.1077000    
 C   0.6521000      0.5967000      0.6736000    
 C  -0.3553000     -0.3205000      0.9837000    
 C  -0.1266000      -1.686300      0.8529000    
 C   -3.384200      0.3903000      -2.897200    
 C    5.409200       1.484700     -0.4531000    
 C    2.808000       2.476600     -0.3634000    
 C    5.176500       2.835200     -0.6925000    
 C    3.877400       3.329200     -0.6528000    
 C   0.5996000       2.372500       2.254700    
 H    3.434900      -1.637400      -1.525000    
 H    5.551400      -1.146100     -0.3818000    
 H    4.738600     -0.9619000       1.181200    
 H   -5.534700     -0.9417000      0.5816000    
 H   -3.813400       1.391200       1.555900    
 H    1.483000      -4.012500       1.345500    
 H   0.5129000      -4.135700     -0.1322000    
 H   -4.937000       1.613000      -1.002400    
 H   -2.798200      -1.356600      0.6407000    
 H    3.884100      -3.201800      0.9319000    
 H   -3.767600      -1.198500      -1.520300    
 H    2.891900      -5.024700     -0.3199000    
 H    2.440900      -3.862000      -1.558800    
 H  -0.8943000      -2.406200       1.124700    
 H   -3.233700       1.475000      -2.906500    
 H   -4.182700      0.1297000      -3.598300    
 H    6.427800       1.106900     -0.4858000    
 H    1.822600       2.925000     -0.4108000    
 H   -7.052000      0.7444000      0.4776000    
 H   -3.285500     -0.1811000       3.122300    
 H   -6.127400     -0.8813000      -1.684800    
 H    6.005800       3.500100     -0.9143000    
 H    3.691100       4.379800     -0.8573000    
 H   -2.000700      0.1161000      -4.229100    
 H    1.623200       2.148300       2.571900    
 H  -0.1125000       1.926700       2.955900    
 H   0.4626000       3.457400       2.265000    


%chk=000158546-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158546

0 1
O -2.624966 0.979655 -0.102715
O -1.674063 -0.362535 1.561659
O -6.427879 -0.389041 0.660298
O -4.139842 -1.983465 1.583445
O -5.925260 0.907007 -1.910373
O 0.109011 1.594337 0.288450
O -1.654966 2.465426 -2.119417
N 4.179112 -3.113272 0.656094
C 3.685924 -1.888449 -0.014903
C 2.259691 -1.475323 0.393975
C 4.642948 -0.709046 0.236672
C 1.415648 -2.397440 1.063797
C 1.821185 -0.145797 0.086554
C -5.119362 -0.417063 0.013689
C -4.050420 -0.604315 1.105630
C 1.883059 -3.809924 1.409004
C -4.931669 0.885949 -0.816342
C -2.656047 -0.347700 0.500914
C 3.168998 -4.197742 0.637525
C -3.482167 1.055488 -1.305578
C 4.167793 0.502588 -0.544654
C 2.762287 0.762708 -0.637360
C 0.516910 0.261261 0.513564
C -0.337253 -0.689655 1.142327
C 0.108719 -1.991153 1.417468
C -3.099687 2.412880 -1.914314
C 5.087779 1.345225 -1.205870
C 2.328578 1.848802 -1.448520
C 4.644319 2.441097 -1.979471
C 3.257886 2.679387 -2.109359
C -0.265724 2.363113 1.500116
H 3.681356 -2.093113 -1.107694
H 5.666580 -0.996385 -0.060872
H 4.661821 -0.489862 1.327222
H -5.042953 -1.287246 -0.682921
H -4.222780 0.130045 1.919048
H 2.084004 -3.871138 2.499177
H 1.070555 -4.534775 1.203527
H -5.215538 1.749607 -0.190312
H -2.407634 -1.120453 -0.262565
H 4.483628 -2.903318 1.619837
H -3.198259 0.236637 -2.008885
H 3.614214 -5.117326 1.058124
H 2.925648 -4.406028 -0.422046
H -0.579938 -2.686958 1.910095
H -3.445107 3.222449 -1.235327
H -3.568185 2.551759 -2.901900
H 6.160099 1.130937 -1.122935
H 1.262324 2.043063 -1.567466
H -7.092066 -0.148071 -0.038591
H -3.567983 -2.062064 2.388866
H -5.687113 0.210823 -2.577417
H 5.368960 3.085883 -2.489160
H 2.894899 3.506394 -2.729263
H -1.210201 2.143028 -1.281760
H 0.599673 2.416327 2.185837
H -1.134937 1.903940 1.998055
H -0.520509 3.369041 1.133920


