%chk=000158938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158938

0 1
 O   -3.344400     -5.9999999E-02 -4.4799998E-02
 O   -8.125000       1.169600      -1.230500    
 O   -2.182500      -2.048100      8.8100001E-02
 N   -8.188800      0.5584000      2.7000001E-03
 C    4.057200      0.3757000     -0.1305000    
 C    5.362900     -0.4193000     -7.2400004E-02
 C    2.841800     -0.5448000      3.0000000E-03
 C    6.616400      0.4604000     -0.1089000    
 C    1.533800      0.2438000     -8.7800004E-02
 C    7.955900     -0.2708000      3.4200002E-02
 C   0.3189000     -0.6840000      1.1900000E-02
 C    9.163600      0.6695000      5.0600000E-02
 C   -7.092900     -0.4306000      0.1366000    
 C   -1.004600      7.1999997E-02 -0.1036000    
 C   -5.728800      0.2256000      1.2500000E-02
 C    10.50420     -6.8200000E-02  0.1033000    
 C   -4.580300     -0.7741000      5.9900001E-02
 C   -8.072900       1.618700       1.069700    
 C   -9.529200     -0.1218000      0.1315000    
 C   -2.216100     -0.8297000     -1.6799999E-02
 C    11.71080      0.8576000      9.1300003E-02
 H    4.042600       1.118900      0.6758000    
 H    4.007200      0.9251000      -1.078200    
 H    5.380300      -1.015900      0.8483000    
 H    5.398200      -1.128200     -0.9086000    
 H    2.885000      -1.076700      0.9611000    
 H    2.868700      -1.302700     -0.7894000    
 H    6.542300       1.203500      0.6956000    
 H    6.621200       1.025300      -1.049800    
 H    1.498500      0.7901000      -1.038200    
 H    1.494400      0.9886000      0.7161000    
 H    7.947400     -0.8605000      0.9589000    
 H    8.059600     -0.9823000     -0.7940000    
 H   0.3726000      -1.443500     -0.7785000    
 H   0.3477000      -1.225400      0.9658000    
 H    9.086100       1.343000      0.9129000    
 H    9.139500       1.300200     -0.8467000    
 H   -7.214300     -0.9233000       1.107900    
 H   -7.243300      -1.167800     -0.6609000    
 H   -5.560700      0.9458000      0.8212000    
 H   -5.650700      0.8067000     -0.9146000    
 H   -1.071300      0.8089000      0.7051000    
 H   -1.044600      0.5973000      -1.064500    
 H    10.54130     -0.6872000       1.007600    
 H    10.57640     -0.7509000     -0.7518000    
 H   -4.662900      -1.480700     -0.7740000    
 H   -4.601000      -1.326100       1.006800    
 H   -7.222000       2.263100      0.8391000    
 H   -8.988400       2.216900       1.035300    
 H   -7.969400       1.122800       2.038000    
 H   -9.587800     -0.8831000     -0.6511000    
 H   -9.587200     -0.5672000       1.127700    
 H   -10.30330      0.6365000     -1.4200000E-02
 H    11.69320       1.531800      0.9533000    
 H    11.72760       1.464600     -0.8193000    
 H    12.63710      0.2762000      0.1313000    


%chk=000158938-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158938

0 1
O -3.394326 -0.038124 0.143859
O -7.994699 1.051125 -1.393117
O -2.254803 -2.068590 0.051736
N -8.287375 0.558406 -0.086996
C 4.132406 0.363838 -0.014708
C 5.471535 -0.407365 -0.021677
C 2.893735 -0.559754 -0.004194
C 6.709984 0.516862 -0.025497
C 1.555933 0.213500 0.005016
C 8.049941 -0.253262 -0.031395
C 0.322758 -0.715706 0.027981
C 9.288310 0.671164 -0.031879
C -7.165607 -0.409999 0.385222
C -1.000004 0.073986 0.040106
C -5.790406 0.260595 0.278834
C 10.628551 -0.099400 -0.037679
C -4.682792 -0.788771 0.171340
C -8.417298 1.730451 0.881862
C -9.599318 -0.213509 -0.126915
C -2.230782 -0.816712 0.076600
C 11.859875 0.832308 -0.036718
H 4.099576 1.031079 0.872245
H 4.087878 1.027579 -0.903691
H 5.514693 -1.073929 0.865215
H 5.507109 -1.071726 -0.910475
H 2.938863 -1.223483 0.884473
H 2.925286 -1.226727 -0.890860
H 6.673905 1.181304 0.863380
H 6.667164 1.183498 -0.912382
H 1.509146 0.871760 -0.888083
H 1.530441 0.886099 0.888372
H 8.092019 -0.921348 0.854497
H 8.087313 -0.916222 -0.921295
H 0.340965 -1.388403 -0.850724
H 0.365613 -1.374666 0.916584
H 9.252532 1.334163 0.858127
H 9.247959 1.339515 -0.917651
H -7.399552 -0.757212 1.410502
H -7.233632 -1.260887 -0.314915
H -5.584523 0.910209 1.149136
H -5.820571 0.882752 -0.636669
H -1.045508 0.758609 0.909766
H -1.078283 0.725859 -0.852599
H 10.667461 -0.767665 0.846935
H 10.663665 -0.760861 -0.927528
H -4.767158 -1.384290 -0.756695
H -4.660876 -1.487771 1.029205
H -7.476498 2.294914 0.836504
H -9.230189 2.365547 0.501155
H -8.627658 1.392478 1.913732
H -9.480641 -1.002954 -0.882931
H -9.853335 -0.643582 0.860320
H -10.376226 0.488775 -0.462058
H 11.863560 1.482283 0.858820
H 11.859165 1.489919 -0.926659
H 12.804718 0.258039 -0.041531


