%chk=000094304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094304

0 1
 O   -1.067300       2.345300      1.8000000E-03
 O    2.942700      -1.396000      3.7000000E-03
 O    3.531500       1.157100     -3.1999999E-03
 C  -0.3987000     -1.5799999E-02   0.000000    
 C   0.5893000      -1.009800     -9.9999997E-05
 C   -1.756600     -0.3973000     -9.9999997E-05
 C  -3.1800002E-02   1.415300      3.9999999E-04
 C   0.2539000      -2.365500     -3.0000001E-04
 C    1.244700       1.839000     -5.0000002E-04
 C   -2.791200      0.6551000      9.9999997E-05
 C    2.004700     -0.6140000      5.0000002E-04
 C   -2.083600      -1.763700     -5.0000002E-04
 C   -1.085200      -2.738300     -6.0000003E-04
 C    2.349100      0.8450000     -1.8000000E-03
 C   -2.373600       1.928400      1.0000000E-03
 C    1.258500      -3.472400      9.9999997E-05
 C    1.661500       3.280800      6.9999998E-04
 C   -4.248000      0.3068000     -1.3000000E-03
 H   -3.118100      -2.097100     -5.0000002E-04
 H   -1.379500      -3.784800     -6.9999998E-04
 H   -3.036900       2.783100      1.2000001E-03
 H    1.882200      -3.434100     -0.8989000    
 H    1.879800      -3.435500      0.9007000    
 H   0.7787000      -4.458300     -1.4000000E-03
 H    2.260900       3.503700     -0.8883000    
 H    2.263000       3.501600      0.8889000    
 H   0.8103000       3.968400      2.4999999E-03
 H   -4.510700     -0.2736000      0.8894000    
 H   -4.509200     -0.2729000     -0.8930000    
 H   -4.879500       1.202400     -1.5000000E-03


%chk=000094304-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094304

0 1
O -1.041262 2.342529 0.001048
O 3.020994 -1.441851 0.002323
O 3.607364 1.269936 -0.001848
C -0.392208 -0.039188 0.000506
C 0.625713 -1.045757 0.000634
C -1.777805 -0.393392 -0.000134
C -0.010726 1.376403 0.000795
C 0.262983 -2.431345 -0.000189
C 1.286416 1.862764 0.000518
C -2.801986 0.657663 -0.000093
C 2.061386 -0.617930 0.001802
C -2.119384 -1.773239 -0.000856
C -1.122622 -2.758709 -0.000967
C 2.387911 0.903012 0.000333
C -2.383945 1.958853 0.000546
C 1.264789 -3.564904 -0.000184
C 1.630480 3.333024 0.000156
C -4.278743 0.328739 -0.000754
H -3.172536 -2.070666 -0.001400
H -1.408687 -3.816291 -0.001615
H -3.033947 2.835089 0.000703
H 1.939619 -3.510154 -0.872627
H 1.937111 -3.512179 0.874323
H 0.743102 -4.537172 -0.002043
H 2.248896 3.579160 -0.882377
H 2.250101 3.579329 0.881794
H 0.730557 3.965171 0.000696
H -4.561988 -0.261941 0.890854
H -4.561312 -0.261374 -0.892950
H -4.889373 1.247321 -0.000694


