%chk=000176970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176970

0 1
 O   -2.559800       1.598100      0.9453000    
 O   -4.434900      0.5331000     -0.8736000    
 O   0.1752000      -1.876100     -0.3477000    
 O  -0.2843000       2.895500     -0.4514000    
 O    3.923500       1.006900      0.6937000    
 O   0.4197000      -4.152700     -0.2915000    
 C   -3.833200     -0.3013000      0.1284000    
 C   -2.423300      0.2689000      0.4263000    
 C   -1.493400      0.3409000     -0.7951000    
 C  -4.4300001E-02  0.5121000     -0.3968000    
 C   -4.749700     -0.2599000       1.355200    
 C   -3.797100      -1.717600     -0.4515000    
 C   0.7512000     -0.5997000     -0.1838000    
 C   0.4782000       1.784500     -0.2475000    
 C    2.087800     -0.4672000      0.1834000    
 C    2.622000      0.8141000      0.3357000    
 C    1.817100       1.936700      0.1202000    
 C    2.878500      -1.667600      0.3953000    
 C    2.325600      -2.872900      0.2385000    
 C   0.9128000      -3.039000     -0.1506000    
 C   0.3513000       4.159200     -0.2710000    
 C    4.877100       1.104000     -0.3617000    
 H   -1.962700     -0.3359000       1.217200    
 H   -1.790500       1.165900      -1.455600    
 H   -1.572900     -0.5564000      -1.416100    
 H   -4.340700     -0.8568000       2.176700    
 H   -5.748600     -0.6423000       1.114900    
 H   -4.896600      0.7666000       1.708600    
 H   -3.237900      -2.398900      0.1978000    
 H   -3.358500      -1.741800      -1.453800    
 H   -4.811800      -2.116900     -0.5681000    
 H   -3.025000       2.129300      0.2764000    
 H   -5.322300      0.1840000      -1.064800    
 H    2.295400       2.901100      0.2576000    
 H    3.918800      -1.583500      0.6877000    
 H    2.908600      -3.773600      0.3974000    
 H  -0.4010000       4.928800     -0.4739000    
 H    1.161600       4.311200     -0.9921000    
 H   0.6790000       4.302900      0.7643000    
 H    4.686900       1.997600     -0.9646000    
 H    4.853100      0.2130000     -0.9970000    
 H    5.872400       1.188700      8.2999997E-02


%chk=000176970-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176970

0 1
O -2.112384 1.179101 1.308407
O -4.256233 1.135324 -0.374072
O 0.148910 -2.077430 -0.218714
O -0.225120 2.619168 -0.943421
O 4.126642 0.621995 0.315576
O 0.188194 -4.362205 0.096049
C -3.861837 -0.183199 0.219280
C -2.331155 -0.003867 0.464492
C -1.512838 0.100181 -0.853355
C -0.036324 0.276958 -0.578756
C -4.594518 -0.384156 1.561946
C -4.188006 -1.318480 -0.770896
C 0.780214 -0.825272 -0.249416
C 0.601496 1.544075 -0.600260
C 2.172552 -0.723258 0.046767
C 2.760035 0.578435 0.011512
C 1.986905 1.707723 -0.310743
C 2.902748 -1.921943 0.365341
C 2.283099 -3.155960 0.389324
C 0.864714 -3.314621 0.101257
C 0.350946 3.965175 -0.971306
C 4.789203 1.928436 0.308214
H -1.963066 -0.854780 1.063056
H -1.900101 0.947142 -1.443719
H -1.657273 -0.830580 -1.428381
H -4.347905 -1.370046 1.996418
H -5.692746 -0.348675 1.420596
H -4.293436 0.396479 2.280138
H -3.688982 -2.259429 -0.473632
H -3.859473 -1.056813 -1.790290
H -5.277979 -1.506930 -0.799069
H -2.571853 1.926117 0.839108
H -5.242629 1.211264 -0.355055
H 2.438948 2.700697 -0.332512
H 3.969503 -1.831537 0.590241
H 2.825990 -4.073189 0.629285
H -0.481244 4.623634 -1.259641
H 1.161762 4.041907 -1.721501
H 0.730107 4.259271 0.026092
H 4.341953 2.606999 1.059815
H 4.742325 2.394697 -0.694821
H 5.836156 1.720593 0.572040


