File: water_ccd.com

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cclib-data 1.6.2-2
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file content (12 lines) | stat: -rw-r--r-- 80 bytes parent folder | download 
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%chk=water_ccd
#P CCD/STO-3G

Water

0 1
O
H 1 R1
H 1 R1 2 A1

R1=0.99
A1=106.0