%chk=000127632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127632

0 1
 O    2.408400     -0.6610000      0.5760000    
 O   0.4843000      0.9425000       1.428500    
 O   -1.291400      -2.532800     -0.9190000    
 O   -1.156000       2.845300      0.8407000    
 O   0.9564000      -3.086000      0.5675000    
 O   0.8199000       2.763600      -1.070100    
 C   -1.131500      0.6351000     -0.4045000    
 C   -1.874500     -0.5254000      0.3940000    
 C   0.4087000      0.6280000      1.9800000E-02
 C   -3.447100     -0.6173000      0.1689000    
 C    1.136400     -0.7460000     -0.1147000    
 C   -1.146800      -1.901300      0.3458000    
 C   -1.865500       2.018400     -8.0899999E-02
 C   0.3436000      -1.800900      0.7052000    
 C   -4.062700      0.7667000     -0.1484000    
 C   -3.281700       1.892500      0.4879000    
 C   -1.266600      0.4353000      -1.937300    
 C    1.281500       1.715800     -0.6157000    
 C    1.441200      -1.255900      -1.539300    
 C   -4.090700      -1.133800       1.485700    
 C   -3.909200      -1.583400     -0.9411000    
 C    3.308400      0.4045000      0.2586000    
 C    2.771700       1.467500     -0.7104000    
 C    3.700100       1.059600       1.593400    
 C    4.545100     -0.2351000     -0.3169000    
 C    4.917900      -1.496100     -7.3700003E-02
 H   -1.764800     -0.2164000       1.446500    
 H   -1.616400      -2.580400       1.066700    
 H   -1.940200       2.603300      -1.007500    
 H   0.4168000      -1.557200       1.773400    
 H   -5.103800      0.8103000      0.1970000    
 H   -4.114100      0.9380000      -1.229900    
 H   -3.809100       2.842900      0.3346000    
 H   -3.244600       1.763300       1.577300    
 H  -0.5976000       1.104100      -2.488100    
 H   -1.051900     -0.5771000      -2.267400    
 H   -2.274200      0.6595000      -2.296300    
 H    1.725600     -0.4550000      -2.223800    
 H    2.277700      -1.964100      -1.528800    
 H   0.6103000      -1.774000      -2.013100    
 H   -3.727600      -2.132800       1.747700    
 H   -3.873000     -0.4679000       2.327900    
 H   -5.181300      -1.200500       1.395100    
 H   -4.992100      -1.503100      -1.099100    
 H   -3.430900      -1.366800      -1.900000    
 H   -3.716200      -2.629400     -0.6820000    
 H    2.968800       1.187500      -1.752200    
 H    3.288900       2.422800     -0.5539000    
 H   0.1124000       1.824800       1.579600    
 H  -0.8397000      -3.392700     -0.8714000    
 H  -0.5247000       3.380000      0.3301000    
 H    1.888000      -2.992400      0.8305000    
 H    2.848600       1.571700       2.052200    
 H    4.033500      0.3105000       2.322100    
 H    4.502700       1.795500       1.467600    
 H    5.203300      0.3837000     -0.9229000    
 H    5.837800      -1.879900     -0.5028000    
 H    4.344500      -2.171100      0.5508000    


%chk=000127632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127632

0 1
O 2.414355 -0.740909 0.596339
O 0.433694 0.980068 1.426381
O -1.299886 -2.626134 -0.931069
O -1.055344 2.940646 0.701740
O 0.869030 -3.140881 0.594794
O 0.890297 2.801102 -1.101109
C -1.147806 0.606887 -0.490091
C -1.877054 -0.521871 0.354350
C 0.381684 0.617258 -0.018785
C -3.456001 -0.628122 0.188654
C 1.104963 -0.770464 -0.130855
C -1.173587 -1.902008 0.351161
C -1.845725 2.023617 -0.168752
C 0.314269 -1.783573 0.729358
C -4.051440 0.786710 -0.104641
C -3.210315 1.905454 0.524241
C -1.284521 0.400429 -2.024640
C 1.308269 1.689428 -0.652048
C 1.361441 -1.252133 -1.581412
C -4.033889 -1.119004 1.550338
C -3.954599 -1.594484 -0.919801
C 3.354288 0.386864 0.370458
C 2.806005 1.402914 -0.677180
C 3.570937 1.063209 1.748885
C 4.691598 -0.155628 -0.129479
C 5.009307 -1.457586 -0.316858
H -1.730303 -0.189372 1.406232
H -1.646200 -2.528007 1.137890
H -1.969653 2.539493 -1.139726
H 0.401504 -1.435459 1.775230
H -5.088827 0.823606 0.279681
H -4.124406 0.948802 -1.198395
H -3.717280 2.884583 0.450468
H -3.052991 1.714461 1.603456
H -0.598121 1.069488 -2.575001
H -1.104789 -0.641611 -2.319524
H -2.308396 0.654168 -2.349411
H 1.575874 -0.421954 -2.274758
H 2.234771 -1.923682 -1.576732
H 0.498906 -1.810518 -1.968844
H -3.583162 -2.077600 1.866559
H -3.859674 -0.379932 2.355950
H -5.124932 -1.279507 1.466016
H -5.055078 -1.497207 -1.007417
H -3.507751 -1.366489 -1.901111
H -3.711891 -2.644562 -0.693224
H 3.036735 1.036779 -1.697831
H 3.331886 2.368823 -0.573596
H -0.136991 1.829748 1.482870
H -0.677103 -3.399174 -0.844702
H -0.385692 3.371856 0.095331
H 1.836856 -3.084261 0.798322
H 2.618975 1.486274 2.105509
H 3.911948 0.303393 2.471874
H 4.340485 1.855107 1.686430
H 5.448648 0.623912 -0.311548
H 6.005925 -1.758086 -0.657961
H 4.277356 -2.247959 -0.122115


