%chk=000080913.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080913

1 1
 O   0.8203000       2.387300     -4.9400002E-02
 O   -3.304700       4.708900     -0.1938000    
 O   -2.437600      -1.133700       2.104100    
 O  -0.3622000      -2.087700       2.389000    
 N    5.038100      0.2156000      0.1346000    
 C  -0.4182000     -0.1527000     -0.5217000    
 C   0.9313000     -7.2200000E-02 -0.3623000    
 C   -1.198200       1.108900     -0.4401000    
 C    1.579300       1.227800     -0.1184000    
 C   -1.045400      -1.457400     -0.7630000    
 C  -0.5370000       2.314800     -0.2082000    
 C    1.798600      -1.258000     -0.4241000    
 C    3.766700      0.1247000     -2.0400001E-02
 C    2.907400       1.329400      4.2900000E-02
 C    3.126900      -1.185800     -0.2671000    
 C   -2.594700       1.140000     -0.5892000    
 C   -1.482300      -2.251400      0.2906000    
 C   -1.236700       3.522700     -0.1255000    
 C   -1.193300      -1.880300      -2.079100    
 C   -3.299100       2.344600     -0.5074000    
 C   -2.619900       3.536300     -0.2755000    
 C   -2.075200      -3.485600      2.4800001E-02
 C   -1.786300      -3.114500      -2.344900    
 C   -2.227200      -3.917200      -1.292700    
 C    5.698700       1.522800      0.3832000    
 C    5.915500     -0.9817000      7.3799998E-02
 C   -1.344200      -1.836500       1.681900    
 C   -2.420400     -0.6689000       3.458100    
 H    1.372900      -2.239600     -0.6018000    
 H    3.333500       2.310200      0.2201000    
 H    3.703600      -2.100800     -0.3248000    
 H   -3.164100      0.2320000     -0.7711000    
 H  -0.7015000       4.451400      5.6400001E-02
 H  -0.8560000      -1.266600      -2.910800    
 H   -4.379400       2.335300     -0.6264000    
 H   -2.423400      -4.120400      0.8358000    
 H   -1.904900      -3.450500      -3.370800    
 H   -2.689000      -4.878200      -1.499700    
 H    6.777900       1.381400      0.4868000    
 H    5.314300       1.944300       1.316400    
 H    5.516800       2.181700     -0.4707000    
 H    6.957400     -0.6890000      0.2301000    
 H    5.828900      -1.436400     -0.9172000    
 H    5.627700      -1.674700      0.8697000    
 H   -4.252200       4.530000     -0.3211000    
 H   -1.582500      1.8100001E-02   3.609100    
 H   -2.355600      -1.516100       4.147100    
 H   -3.354100     -0.1323000       3.645300    


%chk=000080913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080913

1 1
O 0.908304 2.451224 -0.242852
O -3.105956 4.948514 -0.650714
O -2.360370 -2.314604 2.657362
O -1.075070 -0.475336 2.038936
N 5.188986 0.285531 0.134866
C -0.452892 -0.054274 -0.507695
C 0.959574 -0.011856 -0.370461
C -1.181865 1.183498 -0.570347
C 1.633874 1.256166 -0.225862
C -1.162020 -1.360096 -0.719413
C -0.477669 2.427351 -0.422569
C 1.799501 -1.180075 -0.329963
C 3.826186 0.201793 -0.027131
C 3.010213 1.378805 -0.060460
C 3.171299 -1.087417 -0.168398
C -2.599313 1.258801 -0.756116
C -1.781971 -2.079310 0.346382
C -1.117154 3.670944 -0.449557
C -1.227171 -1.887111 -2.033003
C -3.261622 2.485263 -0.788737
C -2.516145 3.697809 -0.631546
C -2.452625 -3.300505 0.081509
C -1.898483 -3.104568 -2.288753
C -2.513374 -3.812267 -1.230570
C 5.840072 1.604831 0.285243
C 6.028077 -0.933594 0.164968
C -1.691711 -1.531913 1.733576
C -2.320213 -1.846259 4.069330
H 1.330891 -2.163716 -0.429990
H 3.429975 2.380371 0.043385
H 3.765218 -2.003413 -0.143564
H -3.165758 0.330865 -0.875762
H -0.554497 4.599016 -0.331849
H -0.755417 -1.340683 -2.856643
H -4.347536 2.522920 -0.932718
H -2.916792 -3.834064 0.915094
H -1.940179 -3.495325 -3.310595
H -3.033224 -4.754994 -1.427121
H 6.923759 1.466523 0.403926
H 5.460972 2.137095 1.177509
H 5.669440 2.237959 -0.605419
H 7.080706 -0.643673 0.290553
H 5.941882 -1.504027 -0.777939
H 5.752631 -1.592045 1.009294
H -4.087410 4.910735 -0.778453
H -2.786178 -0.850555 4.148459
H -1.276501 -1.794642 4.419728
H -2.891944 -2.599688 4.626681


