%chk=000161045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161045

0 1
 O   -4.147200      -2.155000       1.189000    
 O   -4.456600       2.150700      1.6899999E-02
 O    6.251600     -0.1638000       1.098300    
 C   -1.299900     -0.8172000      0.1224000    
 C   -2.100200      0.4862000     -9.1300003E-02
 C   0.1049000     -0.7633000     -0.4880000    
 C   0.8954000      0.4121000      0.1677000    
 C   -3.429200      7.0799999E-02  0.5763000    
 C    2.375100      0.5283000     -0.3668000    
 C   -1.347400       1.617800      0.6210000    
 C   9.9900000E-02   1.745100      0.1133000    
 C   -2.263800      -1.910300     -0.3365000    
 C   -3.645300      -1.384900      0.1036000    
 C   0.8577000      -2.083500     -0.2798000    
 C   -2.315800      0.8537000      -1.583000    
 C    3.050200     -0.8480000     -0.3085000    
 C    2.263900      -2.013300     -0.8611000    
 C    3.143400       1.536400      0.5367000    
 C    2.424200       1.028100      -1.828500    
 C   -4.596400      0.9491000      0.2394000    
 C    4.654300       1.467800      0.3791000    
 C    4.285000      -1.059000      0.1773000    
 C    5.143100      6.4199999E-02  0.6182000    
 C   -5.947000      0.2879000      0.1842000    
 H   -1.166200     -0.9675000       1.207200    
 H   2.4900001E-02 -0.5999000      -1.567700    
 H   0.9717000      0.1603000       1.238300    
 H   -3.336000      9.9799998E-02   1.671000    
 H   -1.321700       1.430600       1.702400    
 H   -1.862000       2.576200      0.4873000    
 H   8.2400002E-02   2.134200     -0.9097000    
 H   0.5994000       2.504700      0.7245000    
 H   -2.227400      -2.015800      -1.426700    
 H   -2.022100      -2.881100      0.1079000    
 H   -4.339300      -1.496400     -0.7333000    
 H   0.3191000      -2.906500     -0.7638000    
 H   0.9113000      -2.323900      0.7899000    
 H   -1.379400      0.8859000      -2.146100    
 H   -2.969600      0.1431000      -2.098800    
 H   -2.763000       1.846700      -1.694500    
 H    2.205300      -1.916800      -1.952300    
 H    2.771800      -2.965600     -0.6649000    
 H    2.903800       1.338500       1.590900    
 H    2.820300       2.564300      0.3331000    
 H    3.440100      0.9766000      -2.237400    
 H    1.786300      0.4357000      -2.491700    
 H    2.101800       2.071600      -1.909000    
 H    5.122300       2.129300       1.116500    
 H    4.975300       1.787700     -0.6171000    
 H    4.724600      -2.050200      0.2141000    
 H   -3.481500      -2.147800       1.897800    
 H   -6.082600     -0.2423000     -0.7601000    
 H   -6.088700     -0.3783000       1.038000    
 H   -6.717700       1.063200      0.2495000    


%chk=000161045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161045

0 1
O -4.337208 -2.247110 1.060515
O -4.490482 2.244694 0.085608
O 6.372466 -0.084593 1.176179
C -1.295261 -0.836131 0.058451
C -2.101452 0.487191 -0.155277
C 0.130989 -0.791271 -0.525018
C 0.907623 0.392924 0.139259
C -3.463659 0.065276 0.484452
C 2.403008 0.529526 -0.369366
C -1.344892 1.621795 0.573449
C 0.117432 1.733106 0.064652
C -2.272854 -1.944042 -0.401684
C -3.686493 -1.423172 0.022477
C 0.884390 -2.118186 -0.287688
C -2.305600 0.837182 -1.655927
C 3.092758 -0.843488 -0.263736
C 2.338162 -2.041353 -0.811499
C 3.141521 1.565618 0.535758
C 2.468256 0.990638 -1.861358
C -4.658490 1.012420 0.302866
C 4.678833 1.518904 0.420998
C 4.351974 -1.002654 0.258689
C 5.221133 0.114437 0.679055
C -6.055918 0.420900 0.429731
H -1.173057 -0.939809 1.164067
H 0.064955 -0.622975 -1.620778
H 0.984398 0.126330 1.220045
H -3.307758 0.023166 1.589611
H -1.337678 1.409147 1.664075
H -1.869509 2.584300 0.436338
H 0.108877 2.108063 -0.976307
H 0.636634 2.502056 0.665824
H -2.223872 -2.077553 -1.498491
H -2.076300 -2.932344 0.051220
H -4.404491 -1.487584 -0.810926
H 0.358463 -2.954459 -0.786831
H 0.894682 -2.342355 0.799310
H -1.346032 0.973207 -2.182275
H -2.866010 0.051667 -2.195660
H -2.874398 1.778324 -1.740712
H 2.301760 -1.963235 -1.919471
H 2.888572 -2.971521 -0.580201
H 2.861584 1.370982 1.591227
H 2.790419 2.585355 0.292762
H 3.513631 1.013641 -2.217603
H 1.906879 0.315170 -2.530459
H 2.051421 2.006655 -1.977872
H 5.158969 2.219397 1.127025
H 5.003787 1.823828 -0.595075
H 4.795747 -2.003706 0.341906
H -3.711669 -2.348406 1.823238
H -6.379512 0.037422 -0.559031
H -6.076204 -0.435791 1.124348
H -6.767425 1.204616 0.735315


