%chk=000226674.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226674

0 1
 O    3.037000      4.4999998E-03   1.240500    
 O    3.225900      3.3000000E-03  -1.024600    
 C   0.3598000       1.208000     -9.6000005E-03
 C   0.3622000      -1.207900     -1.0200000E-02
 C    1.058400      6.9999998E-04 -1.1500000E-02
 C   -1.731300     -2.0000001E-03 -5.1000002E-03
 C   -1.035100       1.206700     -6.2000002E-03
 C   -1.032600      -1.209300     -7.1000000E-03
 C    1.053300       2.482300     -1.2200000E-02
 C    1.058500      -2.480600     -1.2700000E-02
 C   -3.178300     -3.1000001E-03   0.000000    
 C    2.521800      2.4999999E-03 -1.5799999E-02
 C    1.387700       3.092500       1.194300    
 C    1.382200       3.090200      -1.221600    
 C    1.388700      -3.088400      -1.221800    
 C    1.394200      -3.089800       1.194100    
 C   -3.871600     -4.8000002E-03   1.210400    
 C   -3.879900     -2.4999999E-03  -1.205500    
 C    2.054800       4.317600       1.191700    
 C    2.049300       4.315200      -1.224300    
 C    2.058300      -4.312100      -1.224100    
 C    2.063900      -4.313300       1.191900    
 C   -5.266500     -5.7999999E-03   1.215300    
 C   -5.274700     -3.3000000E-03  -1.200800    
 C    2.385600       4.928900     -1.7600000E-02
 C    2.395900      -4.924500     -1.7300000E-02
 C   -5.967900     -4.9999999E-03  9.7000003E-03
 H   -1.582400       2.148300     -4.6000001E-03
 H   -1.578000      -2.152000     -6.0000001E-03
 H    1.137500       2.628900       2.145500    
 H    1.127900       2.624500      -2.170700    
 H    1.133300      -2.623600      -2.171000    
 H    1.143000      -2.626200       2.145100    
 H   -3.340100     -5.2999998E-03   2.159200    
 H   -3.355000     -1.2000001E-03  -2.158000    
 H    2.316900       4.795300       2.131200    
 H    2.307200       4.791100      -2.165800    
 H    2.317200      -4.787900      -2.165500    
 H    2.327100      -4.790200       2.131500    
 H   -5.806400     -7.1000000E-03   2.157700    
 H   -5.821200     -2.7000001E-03  -2.139400    
 H    2.905200       5.882700     -1.9700000E-02
 H    2.917400      -5.877200     -1.8999999E-02
 H   -7.054000     -5.7999999E-03  1.3500000E-02
 H    4.017900      6.3000000E-03   1.233400    


%chk=000226674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226674

0 1
O 3.151092 0.092895 1.142107
O 3.373131 -0.051950 -1.158151
C 0.413667 1.234932 -0.148755
C 0.427920 -1.239728 -0.014107
C 1.125844 -0.001391 -0.132999
C -1.717985 -0.005266 0.097144
C -0.996732 1.207460 -0.029422
C -0.983601 -1.216848 0.097591
C 1.098524 2.562371 -0.251343
C 1.126238 -2.563812 0.015302
C -3.205135 -0.006830 0.212222
C 2.630701 0.006329 -0.151005
C 0.766541 3.598667 0.663736
C 2.045124 2.838208 -1.275700
C 2.070248 -2.936841 -0.980095
C 0.806945 -3.502010 1.034861
C -3.875336 -0.988791 0.992855
C -3.992331 0.972248 -0.454627
C 1.368552 4.871343 0.566008
C 2.643702 4.113478 -1.374703
C 2.677874 -4.211402 -0.949873
C 1.417997 -4.773678 1.066296
C -5.281829 -0.992369 1.104017
C -5.398975 0.971054 -0.343600
C 2.311241 5.134472 -0.455230
C 2.357524 -5.134053 0.072234
C -6.051743 -0.011620 0.436455
H -1.535376 2.160955 -0.028283
H -1.515680 -2.173249 0.135855
H 0.052370 3.393732 1.469659
H 2.297841 2.064069 -2.006954
H 2.313818 -2.240101 -1.788234
H 0.094801 -3.218787 1.818567
H -3.289961 -1.736864 1.539562
H -3.502961 1.719693 -1.089284
H 1.107554 5.653097 1.288136
H 3.365392 4.309200 -2.175563
H 3.397392 -4.483948 -1.729926
H 1.166811 -5.478715 1.866666
H -5.776290 -1.753660 1.717691
H -5.985898 1.729544 -0.873538
H 2.778648 6.122440 -0.533619
H 2.832136 -6.121467 0.093703
H -7.143979 -0.013770 0.522012
H 4.147284 0.098863 1.089632


