%chk=000105570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105570

0 1
O 0.227209 0.567055 3.552281
O -5.239126 1.008615 -1.272547
O 4.980440 -1.672059 -1.521105
C -0.668768 0.082230 1.198376
C 0.775313 0.175257 1.077541
C -1.875241 -0.170487 0.686628
C 1.892335 0.202724 0.347642
C 0.143166 0.355731 2.388006
C -3.100815 0.055364 1.488528
C -2.079986 -0.648966 -0.695127
C 3.222667 0.241442 0.999393
C 1.891163 0.161898 -1.128342
C -4.299222 0.390252 0.821218
C -3.276633 -0.326285 -1.370845
C 4.325072 -0.335714 0.332089
C 2.990157 -0.407195 -1.807316
C -4.355701 0.434456 -0.670917
C 4.174887 -0.901369 -1.042357
C -3.094380 -0.019596 2.887978
C -1.124427 -1.448261 -1.336323
C 3.408479 0.801881 2.270422
C 0.836032 0.710017 -1.869519
C -5.458069 0.672379 1.552672
C -3.479598 -0.752482 -2.686460
C 5.581034 -0.372353 0.947462
C 2.997582 -0.474194 -3.203452
C -4.262950 0.245254 3.611580
C -1.345383 -1.892793 -2.646136
C 4.672569 0.778321 2.871150
C 0.861616 0.661682 -3.269181
C -5.441459 0.596750 2.949257
C -2.511928 -1.536962 -3.325491
C 5.756413 0.188101 2.216969
C 1.931036 0.060872 -3.935789
H -2.179743 -0.280784 3.424892
H -0.207854 -1.730140 -0.814057
H 2.570745 1.257085 2.803327
H -0.005807 1.180246 -1.357184
H -6.371851 0.952901 1.020044
H -4.401128 -0.471296 -3.204880
H 6.419023 -0.844223 0.425465
H 3.844974 -0.942395 -3.713122
H -4.247064 0.180912 4.700644
H -0.596131 -2.517283 -3.135103
H 4.806247 1.220268 3.859717
H 0.036203 1.093999 -3.836858
H -6.346116 0.812935 3.516667
H -2.675812 -1.874377 -4.348411
H 6.736354 0.162056 2.692532
H 1.942577 0.014131 -5.024259


%chk=000105570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105570

0 1
O 0.226584 0.556192 3.552812
O -5.794348 -0.277772 -1.137181
O 5.519341 -0.416082 -1.923179
C -0.676011 0.122796 1.128094
C 0.774114 0.096119 1.028951
C -1.959143 -0.124134 0.616195
C 1.966841 0.123475 0.289858
C 0.138329 0.334004 2.321709
C -3.133344 0.337250 1.378218
C -2.162952 -0.849388 -0.642902
C 3.248219 -0.064737 0.993304
C 1.973498 0.359213 -1.158445
C -4.438729 0.272733 0.786850
C -3.465778 -0.908411 -1.240940
C 4.457936 -0.233361 0.240824
C 3.179580 0.180576 -1.914791
C -4.647924 -0.291241 -0.575409
C 4.460732 -0.185934 -1.247507
C -3.014145 0.890380 2.691060
C -1.098759 -1.557384 -1.280334
C 3.327386 -0.123070 2.419511
C 0.811174 0.821538 -1.847898
C -5.569284 0.759589 1.489799
C -3.661385 -1.597934 -2.461417
C 5.689298 -0.462446 0.904429
C 3.184647 0.395690 -3.313653
C -4.148238 1.350041 3.382694
C -1.310678 -2.256326 -2.483183
C 4.559911 -0.330519 3.062689
C 0.834712 1.052133 -3.235934
C -5.433424 1.293301 2.783061
C -2.591297 -2.263978 -3.090090
C 5.748875 -0.507822 2.308007
C 2.018714 0.821089 -3.979654
H -2.039018 0.950025 3.182610
H -0.116198 -1.598555 -0.804874
H 2.430672 0.008239 3.031613
H -0.097237 1.046358 -1.284731
H -6.541495 0.701287 0.990318
H -4.671090 -1.606447 -2.884281
H 6.581898 -0.598838 0.285800
H 4.126186 0.235881 -3.848777
H -4.032531 1.757275 4.392711
H -0.479133 -2.797681 -2.946406
H 4.596588 -0.357126 4.156908
H -0.068164 1.415016 -3.738181
H -6.310874 1.661927 3.324533
H -2.751471 -2.801862 -4.030311
H 6.703702 -0.678155 2.816247
H 2.031812 0.992678 -5.061029


