%chk=000131476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131476

0 1
 O   -3.211100       2.457700      0.3525000    
 O   -2.595700      -2.637100     -0.1811000    
 O  -0.5834000       2.100200      -1.275000    
 O    4.104000       1.259200      5.2000001E-02
 O    4.300400      -1.510800     -2.5400000E-02
 N   -1.868600      0.5919000     -0.1054000    
 N  -0.4258000      -1.973600     -0.3694000    
 C   -2.019800     -0.5185000      0.8139000    
 C   -3.465100     -0.4132000       1.305100    
 C   -3.146400       1.239400     -0.3793000    
 C   -4.189400      0.2576000      0.1374000    
 C   -1.734300      -1.778500      1.8900000E-02
 C  -0.6741000       1.080700     -0.5911000    
 C   0.5681000      0.3250000     -0.2868000    
 C   0.6603000      -1.076700     -0.2807000    
 C    1.738900       1.095800     -0.1687000    
 C    1.932800      -1.671800     -0.2224000    
 C    2.988600      0.4868000     -6.3900001E-02
 C    3.086800     -0.8979000     -0.1034000    
 C    4.533800       1.583700       1.372900    
 H   -1.312500     -0.4426000       1.647200    
 H   -3.508400      0.2445000       2.182400    
 H   -3.916100      -1.370400       1.581800    
 H   -3.254600       1.461300      -1.445500    
 H   -4.420700     -0.4906000     -0.6294000    
 H   -5.117700      0.7399000      0.4567000    
 H  -0.2001000      -2.914600     -0.6835000    
 H   -2.449400       2.995500      7.8400001E-02
 H    1.687600       2.183100     -0.1735000    
 H    2.029100      -2.756400     -0.2430000    
 H    4.990800     -0.8266000      1.2900000E-02
 H    3.772800       2.180700       1.885300    
 H    5.450800       2.174700       1.299200    
 H    4.747200      0.6761000       1.946300    


%chk=000131476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131476

0 1
O -3.093551 2.500418 0.686823
O -2.652146 -2.759369 -0.558137
O -0.434451 2.349924 -0.403658
O 4.345129 0.734260 0.596719
O 4.300681 -1.905234 0.161354
N -1.809451 0.541387 0.011371
N -0.465543 -1.998513 -0.584547
C -2.105211 -0.716165 0.743627
C -3.601358 -0.588799 1.111375
C -3.023392 1.370999 -0.232308
C -4.174648 0.397434 0.058849
C -1.798931 -1.909137 -0.177369
C -0.555199 1.095968 -0.145795
C 0.636659 0.208302 -0.000404
C 0.663908 -1.205313 -0.220606
C 1.859949 0.885875 0.278125
C 1.906294 -1.896529 -0.163817
C 3.071415 0.197456 0.335843
C 3.096254 -1.213086 0.108131
C 4.434970 2.183550 0.808285
H -1.459951 -0.792963 1.641035
H -3.696855 -0.163223 2.123949
H -4.095158 -1.572390 1.076116
H -2.988428 1.734706 -1.276860
H -4.451468 -0.143200 -0.862892
H -5.052159 0.951852 0.424762
H -0.265531 -2.839574 -1.136570
H -2.296296 3.064748 0.480592
H 1.796210 1.971221 0.399624
H 1.952254 -2.978784 -0.321340
H 5.028588 -1.257853 0.364902
H 4.089766 2.731287 -0.088148
H 5.499865 2.387975 0.988864
H 3.836582 2.487271 1.687507


