%chk=000170948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170948

0 1
 O    1.263100     -0.2026000      3.3799998E-02
 O   -1.519400     -0.4306000     -0.2005000    
 O    2.932300     -0.4172000      -1.544400    
 O   -3.294000      -1.116100       1.104800    
 C   0.6581000      -1.444600     -0.3227000    
 C  -0.7242000      -1.503200      0.3148000    
 C    1.544300      -2.581200      0.1640000    
 C    3.292900      0.8888000      0.4754000    
 C    4.710700       1.156900     -2.3700001E-02
 C   -3.494700      0.8194000     -0.3542000    
 C   -4.939200      0.9526000      0.1217000    
 C    2.511100      1.7999999E-02 -0.4816000    
 C   -2.794000     -0.3572000      0.2859000    
 C    5.476000       2.059400      0.9302000    
 C   -5.623200       2.157400     -0.5035000    
 H   0.5456000      -1.478600      -1.413600    
 H   -1.210400      -2.458200      8.4799998E-02
 H  -0.6435000      -1.383000       1.402100    
 H    3.333100      0.3812000       1.445700    
 H    2.754600       1.836400      0.5898000    
 H    1.772800      -2.471800       1.230300    
 H    2.502400      -2.617500     -0.3629000    
 H    1.054800      -3.548900      1.3000000E-02
 H   -2.935700       1.727100     -0.1003000    
 H   -3.475800      0.6804000      -1.441000    
 H    4.676700       1.625700      -1.014500    
 H    5.250900      0.2097000     -0.1404000    
 H   -5.500700      4.4799998E-02 -0.1296000    
 H   -4.966400       1.049100       1.213800    
 H    6.488300       2.237000      0.5541000    
 H    4.978600       3.028700       1.037500    
 H    5.557200       1.602900       1.921800    
 H   -6.656200       2.232700     -0.1498000    
 H   -5.105000       3.084400     -0.2382000    
 H   -5.643000       2.074500      -1.594900    


%chk=000170948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170948

0 1
O 1.474850 -0.840883 0.483981
O -1.367476 -0.664963 -0.181887
O 2.791837 -0.530085 -1.418844
O -3.217705 -1.126852 1.155299
C 0.705069 -1.919951 -0.218948
C -0.699807 -1.874233 0.366614
C 1.401565 -3.267384 0.017999
C 3.130588 0.890733 0.584986
C 4.385446 1.496076 -0.075070
C -3.194483 0.884554 -0.300909
C -4.648568 1.186561 0.113384
C 2.490900 -0.208994 -0.246275
C -2.649150 -0.391623 0.316634
C 4.983450 2.641277 0.768327
C -5.161799 2.501095 -0.510018
H 0.688698 -1.674306 -1.296103
H -1.278241 -2.769299 0.072084
H -0.678580 -1.814551 1.468982
H 3.361479 0.481270 1.587053
H 2.364020 1.673961 0.753188
H 1.442424 -3.510451 1.094559
H 2.430401 -3.232212 -0.376293
H 0.862859 -4.077983 -0.505801
H -2.523542 1.716532 -0.007185
H -3.101774 0.804692 -1.401418
H 4.123788 1.860473 -1.085475
H 5.140026 0.700827 -0.224536
H -5.297384 0.343327 -0.189277
H -4.709996 1.236852 1.216274
H 5.881219 3.064701 0.282915
H 4.254551 3.463079 0.902423
H 5.279811 2.288261 1.774320
H -6.204084 2.703763 -0.204494
H -4.544778 3.363343 -0.193338
H -5.137513 2.458795 -1.615448


