%chk=000179102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179102

0 1
O 3.346084 -0.619851 0.984448
O 2.364391 2.217501 0.202174
O -0.169420 2.575234 -0.175908
O -0.816020 -2.882984 -0.177087
O -2.719271 2.755074 -0.311046
O -3.325545 -2.461970 -0.238616
C 3.445458 0.113622 -0.283912
C 3.232490 -1.381707 -0.260482
C 2.253124 1.021174 -0.594346
C 1.872126 -1.950551 -0.580264
C 0.899026 0.385320 -0.386982
C 4.788703 0.708581 -0.575507
C 0.732061 -0.992675 -0.384716
C -0.247358 1.226907 -0.230859
C -0.580080 -1.532710 -0.217390
C -1.539511 0.688751 -0.116453
C -1.704699 -0.713530 -0.103230
C -2.726795 1.586514 -0.003198
C -3.073231 -1.312936 0.036437
C -3.973937 0.939556 0.523968
C -4.131573 -0.382773 0.541947
H 4.074225 -2.062822 -0.425386
H 2.337367 1.421539 -1.639404
H 1.710364 -2.864941 0.041610
H 1.869147 -2.298915 -1.642042
H 5.058207 0.612211 -1.635050
H 4.815406 1.782073 -0.322500
H 5.580946 0.228195 0.018878
H 2.392800 1.979890 1.166039
H 0.790184 2.927952 -0.170667
H 0.023034 -3.404316 -0.055530
H -4.738804 1.640237 0.868012
H -5.038399 -0.875246 0.901460


%chk=000179102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179102

0 1
O 3.617888 -0.517776 0.953504
O 2.460636 2.135822 0.594983
O -0.046852 2.613392 -0.002023
O -0.765072 -2.948512 -0.083383
O -2.702141 2.880074 -0.068576
O -3.364580 -2.563362 -0.081112
C 3.465837 0.155204 -0.417722
C 3.270400 -1.321696 -0.282063
C 2.241925 1.056546 -0.427445
C 1.903844 -1.971400 -0.312929
C 0.895955 0.381247 -0.197857
C 4.736022 0.730317 -1.005259
C 0.728777 -1.013142 -0.195431
C -0.244718 1.245752 -0.070913
C -0.587923 -1.561965 -0.096051
C -1.563617 0.707152 -0.039023
C -1.738104 -0.725371 -0.052060
C -2.757565 1.611957 0.024603
C -3.117181 -1.317819 0.008018
C -4.087148 0.972509 0.194505
C -4.253377 -0.379594 0.181702
H 4.099897 -1.964891 -0.606569
H 2.208289 1.630110 -1.372681
H 1.883426 -2.714082 0.515762
H 1.827181 -2.548932 -1.258794
H 4.654741 0.808545 -2.105614
H 4.928033 1.738944 -0.600589
H 5.598279 0.086890 -0.763510
H 2.660101 1.684541 1.458435
H 0.908690 2.785229 0.293886
H 0.103669 -3.418346 0.001003
H -4.927593 1.668736 0.294731
H -5.237218 -0.853674 0.272871


