%chk=000161617.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161617

0 1
 O   0.2602000      0.4263000      -2.126200    
 O  -0.9982000       2.318100      -1.593700    
 O   0.4965000       2.636600      0.7842000    
 O   -3.132200      0.6869000      -1.856600    
 O   -1.477500       1.259500       2.041700    
 O    1.594700      -3.228700     -0.3637000    
 C   -1.269300      0.2809000     -0.2553000    
 C    1.074300     -0.8203000     -0.1475000    
 C  -0.4280000     -0.9031000      0.3757000    
 C    1.648200      0.5324000      0.4289000    
 C  -0.2958000       1.202900      -1.046300    
 C   0.8993000       1.716400     -0.2233000    
 C   -2.400100     -0.3133000      -1.155200    
 C   -2.142100       1.012900      0.8152000    
 C    3.213600      0.7003000      0.4543000    
 C   -3.296400     -0.9767000     -0.1042000    
 C   -1.113600      -2.280300      0.2028000    
 C   0.9837000     -0.7292000      -1.686600    
 C    1.906300      -2.033000      0.3501000    
 C   -2.631300      -2.252500      0.4275000    
 C   -3.325800      8.6700000E-02  0.9768000    
 C    3.849100     -0.5845000       1.030000    
 C    3.417300      -1.834400      0.2808000    
 C    3.585500       1.868900       1.400400    
 C    3.871400       1.015300     -0.9071000    
 C   -4.289800      0.2121000       1.897100    
 H  -0.3791000     -0.7617000       1.463600    
 H    1.373100      0.5285000       1.496100    
 H    1.549800       2.278700     -0.8972000    
 H   -2.027600      -1.018600      -1.904900    
 H   -2.510900       1.972400      0.4326000    
 H   -4.307600      -1.174800     -0.4763000    
 H  -0.6777000      -3.010100      0.8952000    
 H  -0.9304000      -2.672800     -0.8035000    
 H    1.964800     -0.7041000      -2.161200    
 H   0.4799000      -1.601500      -2.114900    
 H    1.644600      -2.217600       1.400600    
 H   -3.063500      -3.121300     -8.5199997E-02
 H   -2.849100      -2.394600       1.493600    
 H    3.573300     -0.6941000       2.087600    
 H    4.944000     -0.5129000       1.007000    
 H    3.752900      -1.813300     -0.7621000    
 H    3.916700      -2.707200      0.7211000    
 H   -1.868000       2.024100      -1.904700    
 H    4.672500       1.952400       1.516400    
 H    3.223700       2.828700       1.016800    
 H    3.160100       1.724900       2.399900    
 H    4.961300       1.083800     -0.7976000    
 H    3.687700      0.2509000      -1.660500    
 H    3.547300       1.975600      -1.317500    
 H   6.6999998E-03   3.351900      0.3434000    
 H   -3.861000      0.2418000      -2.321400    
 H  -0.8230000       1.959400       1.891300    
 H    2.085700      -3.958200      5.1199999E-02
 H   -4.265600       1.012100       2.628900    
 H   -5.121200     -0.4835000       1.933700    


%chk=000161617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161617

0 1
O 0.202673 0.259357 -2.278051
O -0.947380 2.265986 -1.779677
O 0.492688 2.760659 0.491596
O -3.164549 0.899943 -1.766354
O -1.253396 1.319784 2.017792
O 1.573595 -3.242316 -0.455497
C -1.277864 0.265118 -0.326057
C 1.050488 -0.853342 -0.202251
C -0.456850 -0.950050 0.275455
C 1.595355 0.525653 0.377665
C -0.321313 1.127310 -1.183235
C 0.906114 1.660415 -0.415959
C -2.489864 -0.272028 -1.137489
C -2.037208 1.028077 0.829892
C 3.151159 0.725081 0.536422
C -3.339821 -0.912624 -0.015448
C -1.153256 -2.310614 -0.001569
C 1.064031 -0.842487 -1.752900
C 1.871502 -2.045643 0.368369
C -2.673298 -2.290125 0.336203
C -3.199775 0.086447 1.140543
C 3.733008 -0.548217 1.214018
C 3.393828 -1.823267 0.422915
C 3.394392 1.934047 1.483142
C 3.919288 1.003765 -0.787015
C -3.929401 0.113433 2.277303
H -0.443998 -0.795838 1.374082
H 1.192546 0.579543 1.411254
H 1.569893 2.085302 -1.191143
H -2.199432 -0.974419 -1.937310
H -2.437870 1.971882 0.399696
H -4.395812 -1.067856 -0.305980
H -0.658261 -3.102308 0.584794
H -1.010110 -2.602996 -1.057267
H 2.080495 -0.699236 -2.161093
H 0.667170 -1.789908 -2.151683
H 1.517503 -2.222215 1.411357
H -3.173303 -3.101180 -0.228079
H -2.835630 -2.489475 1.410566
H 3.321605 -0.633801 2.241943
H 4.830143 -0.440238 1.318765
H 3.798212 -1.769344 -0.605163
H 3.863380 -2.706087 0.905522
H -1.885359 1.991707 -2.035026
H 4.480183 2.090971 1.632251
H 2.957491 2.861328 1.075134
H 2.933872 1.761816 2.474338
H 5.001169 1.082696 -0.568527
H 3.790901 0.215115 -1.547306
H 3.612751 1.961522 -1.243455
H -0.050935 3.369462 -0.081057
H -3.922358 0.597154 -2.321469
H -0.573387 2.009305 1.736628
H 2.174590 -3.973791 -0.163186
H -3.694514 0.831929 3.069197
H -4.755679 -0.586304 2.454207


