%chk=000036426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036426

0 1
 O    1.296300       2.458100      2.4100000E-02
 O   4.4300001E-02  -1.807200      0.2080000    
 O   -1.441600       1.858200     -3.4200002E-02
 O  -0.6320000     -0.1650000       1.672500    
 O   -3.262100       1.989800       1.368400    
 C    3.513500       1.611600     -0.2921000    
 C    4.868600       1.837900     -0.9565000    
 C    2.527600       2.719400     -0.6349000    
 C    2.191300      -2.859800      8.1699997E-02
 C    3.593000      -2.944700      0.6790000    
 C    1.335900      -1.825900      0.8000000    
 C   0.3304000       3.463200     -0.2586000    
 C    5.863300      0.7526000     -0.5772000    
 C  -0.9649000       3.118100      0.4505000    
 C   -2.152200      -1.005900      3.9700001E-02
 C   -2.985700      0.1074000     -6.8499997E-02
 C    4.430000      -4.008500     -1.3100000E-02
 C  -0.8468000     -0.9267000      0.7425000    
 C   -2.609400       1.393400      0.5040000    
 C   -2.539400      -2.224000     -0.5191000    
 C   -4.206300      2.4000001E-03 -0.7357000    
 C   -3.760100      -2.328700      -1.186100    
 C   -4.593500      -1.215600      -1.294300    
 H    3.098900      0.6472000     -0.6087000    
 H    3.627000       1.549000      0.7974000    
 H    5.271900       2.812400     -0.6574000    
 H    4.751200       1.855900      -2.046200    
 H    2.921000       3.688000     -0.3049000    
 H    2.364900       2.754300      -1.718600    
 H    1.696100      -3.837700      0.1332000    
 H    2.247500      -2.608300     -0.9849000    
 H    4.095000      -1.974400      0.5898000    
 H    3.529100      -3.179500       1.747900    
 H    1.790800     -0.8333000      0.7178000    
 H    1.244400      -2.088600       1.860600    
 H   0.6956000       4.437500      8.4100001E-02
 H   0.1602000       3.498100      -1.341000    
 H    5.508100     -0.2328000     -0.8955000    
 H    6.828400      0.9374000      -1.059300    
 H    6.023400      0.7271000      0.5055000    
 H  -0.7878000       3.031200       1.528600    
 H   -1.715900       3.892100      0.2592000    
 H    4.540100      -3.787900      -1.079700    
 H    5.430000      -4.051500      0.4297000    
 H    3.970700      -4.997000      8.8299997E-02
 H   -1.919700      -3.113300     -0.4403000    
 H   -4.864800      0.8624000     -0.8287000    
 H   -4.063400      -3.277800      -1.618600    
 H   -5.544000      -1.297400      -1.813300    


%chk=000036426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036426

0 1
O 1.510732 2.202389 0.141350
O -0.128389 -1.758633 0.200558
O -1.420354 1.629024 0.066763
O -1.064969 -0.493042 1.919382
O -3.536255 2.328731 0.780938
C 3.765698 1.428067 -0.320409
C 5.102951 1.665425 -1.060005
C 2.721970 2.502953 -0.635034
C 2.178300 -2.521171 0.101550
C 3.560802 -2.601809 0.792105
C 1.169997 -1.742500 0.945294
C 0.449487 3.183507 -0.100103
C 6.159764 0.588990 -0.730985
C -0.776232 2.802209 0.709868
C -2.401826 -1.059142 -0.051325
C -3.222844 0.098062 -0.174820
C 4.597170 -3.370710 -0.054870
C -1.162002 -1.038722 0.794548
C -2.783464 1.448541 0.300481
C -2.834261 -2.280923 -0.620621
C -4.483489 0.001280 -0.810061
C -4.083409 -2.364894 -1.273609
C -4.917063 -1.225819 -1.355210
H 3.352813 0.439223 -0.600540
H 3.938531 1.410053 0.773494
H 5.500308 2.665668 -0.791862
H 4.921901 1.683758 -2.154127
H 3.105637 3.513189 -0.360865
H 2.481647 2.511856 -1.722726
H 1.793075 -3.542984 -0.082249
H 2.278810 -2.032807 -0.887154
H 3.933739 -1.577245 0.993078
H 3.452003 -3.093619 1.780042
H 1.461731 -0.685676 1.088373
H 1.010877 -2.201451 1.939111
H 0.790362 4.194490 0.221827
H 0.194383 3.228215 -1.181183
H 5.794765 -0.420765 -0.998676
H 7.100784 0.765744 -1.283059
H 6.397160 0.583763 0.349518
H -0.495013 2.497977 1.734004
H -1.504717 3.631898 0.752996
H 4.744996 -2.884421 -1.037869
H 5.578400 -3.415055 0.451793
H 4.264979 -4.408940 -0.242528
H -2.191983 -3.162138 -0.532399
H -5.106340 0.899105 -0.877037
H -4.409268 -3.317368 -1.705051
H -5.892996 -1.291082 -1.847596


