%chk=000177298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177298

0 1
 O   -1.152700       1.402800      0.9461000    
 O   0.8364000      -2.003100       1.073400    
 O    1.180300       3.307400       1.513000    
 O   -4.635300      -2.720700     -0.2106000    
 C   0.7181000      0.1136000     -0.1221000    
 C   0.1447000       1.486500      0.2948000    
 C  -0.3391000     -0.4784000      -1.092500    
 C   1.7899999E-02   2.450100     -0.9122000    
 C    2.107000      0.2017000     -0.8024000    
 C   -1.647500     -0.6046000     -0.3449000    
 C   0.9429000     -0.7782000       1.111300    
 C  -0.5722000      0.4379000      -2.279000    
 C  -0.4180000       1.773300      -2.198900    
 C   0.9598000       2.101000       1.425000    
 C   -1.979200      0.3627000      0.6123000    
 C    1.391900     -0.1306000       2.370200    
 C    1.436200       1.196900       2.502300    
 C    2.632400      -1.164800      -1.086800    
 C   -2.548500      -1.639400     -0.6228000    
 C  -0.6554000       2.673600      -3.374000    
 C   -3.195900      0.2889000       1.291400    
 C   -3.762900      -1.711400      5.9500001E-02
 C    3.754100      -1.729200     -0.6005000    
 C   -4.085900     -0.7487000       1.015100    
 C    4.234900      -3.115400     -0.9239000    
 C    4.636000     -0.9721000      0.3564000    
 H  -4.0800001E-02  -1.470000      -1.448000    
 H   0.9832000       2.936600      -1.103800    
 H  -0.7033000       3.242600     -0.6735000    
 H    2.061300      0.7327000      -1.759400    
 H    2.791700      0.8001000     -0.1966000    
 H  -0.8903000     -2.3600001E-02  -3.210100    
 H    1.716000     -0.7797000       3.176000    
 H    1.807900       1.654400       3.412300    
 H    2.066000      -1.757200      -1.802500    
 H   -2.299300      -2.385200      -1.373700    
 H   0.2573000       3.226600      -3.618400    
 H   -1.448300       3.393300      -3.146400    
 H  -0.9569000       2.115700      -4.266700    
 H   -3.456600       1.034200       2.038200    
 H   -5.031600     -0.8010000       1.547900    
 H    5.235700      -3.078000      -1.365900    
 H    4.273000      -3.728900     -1.7999999E-02
 H    3.572300      -3.615300      -1.638000    
 H    4.121400     -0.2080000      0.9409000    
 H    5.464100     -0.5049000     -0.1863000    
 H    5.065800      -1.660600       1.093500    
 H   -4.251800      -3.294200     -0.8962000    


%chk=000177298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177298

0 1
O -1.228001 1.546218 0.765603
O 0.854552 -1.941113 1.083075
O 1.194410 3.501796 1.424827
O -4.515467 -2.969272 0.133176
C 0.729367 0.193546 -0.124171
C 0.180561 1.615141 0.203862
C -0.298012 -0.450052 -1.102492
C 0.120401 2.520215 -1.034569
C 2.178829 0.319222 -0.759918
C -1.607198 -0.639108 -0.337709
C 0.889501 -0.676255 1.140090
C -0.527469 0.451010 -2.313610
C -0.358798 1.802053 -2.287718
C 0.913480 2.269415 1.396130
C -1.985537 0.368654 0.582237
C 1.208528 0.010573 2.417601
C 1.223707 1.375253 2.537951
C 2.768165 -0.983531 -1.252042
C -2.440061 -1.765722 -0.492788
C -0.633173 2.683107 -3.488186
C -3.176015 0.260223 1.336685
C -3.641288 -1.871065 0.247202
C 3.745473 -1.730092 -0.659733
C -4.013752 -0.855947 1.160783
C 4.236263 -3.015223 -1.303934
C 4.412845 -1.390542 0.660372
H 0.078644 -1.438489 -1.416188
H 1.112215 2.984791 -1.208750
H -0.551297 3.365486 -0.794457
H 2.091496 1.004589 -1.621662
H 2.844837 0.806477 -0.024214
H -0.904386 -0.034439 -3.223052
H 1.443596 -0.646853 3.263682
H 1.506126 1.870730 3.474696
H 2.361442 -1.346943 -2.207361
H -2.135296 -2.565675 -1.180798
H 0.262556 3.272811 -3.767378
H -1.434583 3.414717 -3.265003
H -0.943154 2.093556 -4.367942
H -3.435026 1.054921 2.042470
H -4.944704 -0.962868 1.724275
H 5.328673 -2.979156 -1.486515
H 4.053496 -3.880759 -0.636772
H 3.732920 -3.213397 -2.265948
H 4.058395 -0.444533 1.101071
H 5.511483 -1.319615 0.536526
H 4.226237 -2.195930 1.397552
H -4.158183 -3.638522 -0.501454


