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	hartrees
Energy at 0K	-228.450832
Energy at 298.15K	-228.455594
HF Energy	-227.779860
Nuclear repulsion energy	118.754010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3778	3548
2	A'	3055	2868
3	A'	3031	2846
4	A'	1768	1660
5	A'	1527	1433
6	A'	1461	1372
7	A'	1414	1328
8	A'	1303	1224
9	A'	1135	1066
10	A'	884	830
11	A'	754	708
12	A'	296	278
13	A"	3088	2900
14	A"	1252	1176
15	A"	1120	1052
16	A"	741	696
17	A"	359	337
18	A"	132	124

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.942	0.000
C2	0.936	-0.247	0.000
O3	-1.356	0.546	0.000
O4	0.517	-1.399	0.000
H5	-1.361	-0.425	0.000
H6	0.223	1.553	0.885
H7	0.223	1.553	-0.885
H8	2.017	-0.031	0.000

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.5131	1.4126	2.3978	1.9292	1.0982	1.0982	2.2394
C2	1.5131		2.4248	1.2262	2.3034	2.1288	2.1288	1.1025
O3	1.4126	2.4248		2.7000	0.9712	2.0713	2.0713	3.4217
O4	2.3978	1.2262	2.7000		2.1150	3.0963	3.0963	2.0304
H5	1.9292	2.3034	0.9712	2.1150		2.6844	2.6844	3.4005
H6	1.0982	2.1288	2.0713	3.0963	2.6844		1.7697	2.5518
H7	1.0982	2.1288	2.0713	3.0963	2.6844	1.7697		2.5518
H8	2.2394	1.1025	3.4217	2.0304	3.4005	2.5518	2.5518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	121.820	C1	C2	H8	116.910
C1	O3	H5	106.582	C2	C1	O3	111.904
C2	C1	H6	108.169	C2	C1	H7	108.169
O3	C1	H6	110.539	O3	C1	H7	110.539
O4	C2	H8	121.270	H6	C1	H7	107.364

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)

using model chemistry: QCISD(T)/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHOCH2OH (hydroxy acetaldehyde)

using model chemistry: QCISD(T)/6-31+G**

States and conformations

All results from a given calculation for CHOCH₂OH (hydroxy acetaldehyde)