%chk=000128549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128549

0 1
 O  -0.8843000      -1.171100      -1.612600    
 O   -2.447500       2.938300       1.498200    
 O   -1.504200      0.9345000       2.037300    
 O    1.432200       2.537400       1.351000    
 O    1.709500       3.343400     -0.7496000    
 N   -2.483900     -0.1170000     -0.3144000    
 N   0.6212000       1.005300      -1.723800    
 C   -4.116500     -0.9028000       1.203500    
 C   -3.217300      -1.342700      3.7799999E-02
 C   -4.452600      0.5489000      0.8310000    
 C   -3.133400       1.065700      0.2548000    
 C   -5.327300      -1.791400       1.470600    
 C   -4.000500      -1.866000      -1.178100    
 C   -6.055300      -2.239300      0.2097000    
 C   -5.087900      -2.858100     -0.7901000    
 C   -1.387700     -0.1384000      -1.165000    
 C   -2.267700       1.602400       1.355800    
 C  -0.8055000       1.203000      -1.533800    
 C   -1.457700       1.719800      -2.800400    
 C    1.319600      0.9593000     -0.4448000    
 C    2.666900      0.2470000     -0.6293000    
 C    1.517100       2.396700      3.5999999E-03
 C    3.497300      0.1120000      0.6567000    
 C    4.786200     -0.6552000      0.4915000    
 C    4.804200      -2.037200      0.6798000    
 C    5.959700      1.7500000E-02  0.1503000    
 C    5.995600      -2.746500      0.5271000    
 C    7.151000     -0.6918000     -2.4999999E-03
 C    7.168800      -2.073900      0.1859000    
 H   -3.515900     -0.8781000       2.123600    
 H   -2.502900      -2.108100      0.3638000    
 H   -5.232200      0.5840000      6.1299998E-02
 H   -4.804300       1.122600       1.694800    
 H   -3.285700       1.826600     -0.5149000    
 H   -4.983600      -2.688400       2.002200    
 H   -6.028500      -1.282600       2.142300    
 H   -4.459900      -1.029800      -1.721800    
 H   -3.311700      -2.340700      -1.887000    
 H   -6.570700      -1.387500     -0.2493000    
 H   -6.827600      -2.970500      0.4745000    
 H   -4.632700      -3.759100     -0.3615000    
 H   -5.636100      -3.170300      -1.686200    
 H  -0.9712000       1.957600     -0.7647000    
 H    1.020400       1.729700      -2.319700    
 H   -1.053900       2.698900      -3.081000    
 H   -2.540800       1.826700      -2.682600    
 H   -1.296500       1.036100      -3.642600    
 H   -1.888200       3.308700       2.213900    
 H   0.7393000      0.4180000      0.3118000    
 H    3.270600      0.7801000      -1.377300    
 H    2.486700     -0.7562000      -1.039500    
 H    3.736000       1.106100       1.054900    
 H    2.890800     -0.3744000       1.432000    
 H    1.549500       3.470700       1.629400    
 H    3.896100      -2.572600      0.9436000    
 H    5.957800       1.093700     -1.2000001E-03
 H    6.009600      -3.822600      0.6732000    
 H    8.064600     -0.1683000     -0.2688000    
 H    8.096300      -2.626200      6.6500001E-02


%chk=000128549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128549

0 1
O -1.246002 -1.649380 -1.195710
O -1.676645 3.158390 0.456878
O -1.836983 1.525981 2.099818
O 0.583648 0.220420 1.864815
O 0.873193 2.191229 0.672111
N -2.690094 -0.063513 -0.330362
N 0.716042 0.423200 -1.698831
C -4.381199 -0.355946 1.328103
C -3.574159 -1.128261 0.247697
C -4.551125 1.046892 0.686530
C -3.174485 1.310205 0.013161
C -5.686705 -1.054341 1.778291
C -4.453408 -1.769289 -0.860200
C -6.511150 -1.652578 0.613860
C -5.627597 -2.572771 -0.258362
C -1.554236 -0.425917 -1.050780
C -2.191188 1.985867 0.984975
C -0.741114 0.706547 -1.725643
C -1.192694 0.804656 -3.204448
C 1.356213 0.011668 -0.436555
C 2.893096 -0.009001 -0.624945
C 0.959413 0.932550 0.736727
C 3.662668 -0.591189 0.591417
C 5.164199 -0.619613 0.343893
C 5.779735 -1.742156 -0.267983
C 5.976249 0.493260 0.684189
C 7.167566 -1.753370 -0.534797
C 7.364568 0.487416 0.419857
C 7.965621 -0.637037 -0.192262
H -3.724806 -0.229819 2.209794
H -2.933880 -1.909754 0.694149
H -5.340654 1.041773 -0.085789
H -4.802193 1.824357 1.427831
H -3.258535 1.950379 -0.880209
H -5.419858 -1.876976 2.472409
H -6.299996 -0.341017 2.364044
H -4.864847 -0.968860 -1.508092
H -3.810522 -2.403295 -1.495526
H -6.928893 -0.843904 -0.020551
H -7.373831 -2.212163 1.023261
H -5.238747 -3.407518 0.360905
H -6.223534 -3.029363 -1.071291
H -0.968833 1.674599 -1.232344
H 1.233443 1.183916 -2.160311
H -0.621519 1.593198 -3.728976
H -2.266285 1.056958 -3.280172
H -1.011693 -0.159124 -3.708386
H -0.806863 3.378980 0.905558
H 1.004992 -1.002137 -0.178594
H 3.252701 1.019865 -0.831427
H 3.100792 -0.619061 -1.523832
H 3.441576 0.012345 1.492200
H 3.286538 -1.612567 0.792228
H 0.047109 0.799052 2.482685
H 5.167553 -2.614193 -0.531054
H 5.517135 1.366328 1.165450
H 7.626355 -2.631238 -1.004151
H 7.976701 1.354399 0.694047
H 9.042468 -0.645176 -0.395402


