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	hartrees
Energy at 0K	-266.759668
Energy at 298.15K	-266.753109
HF Energy	-265.641004
Nuclear repulsion energy	161.440184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3320	9.02
2	A'	3208	3208	1.11
3	A'	3193	3193	72.47
4	A'	2047	2047	5.81
5	A'	2017	2017	337.94
6	A'	1596	1596	13.25
7	A'	1541	1541	23.92
8	A'	1481	1481	9.02
9	A'	1369	1369	28.02
10	A'	1110	1110	5.09
11	A'	843	843	11.06
12	A'	624	624	15.85
13	A'	524	524	37.17
14	A'	268	268	19.53
15	A"	3276	3276	7.41
16	A"	1602	1602	8.38
17	A"	1190	1190	2.13
18	A"	1006	1006	0.92
19	A"	515	515	2.72
20	A"	148	148	18.18
21	A"	114	114	12.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.846	-0.724	0.000
C2	0.000	0.549	0.000
C3	1.496	0.387	0.000
O4	-0.374	-1.807	0.000
O5	-0.571	1.589	0.000
H6	-1.925	-0.541	0.000
H7	1.966	1.364	0.000
H8	1.809	-0.179	0.874
H9	1.809	-0.179	-0.874

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.5288	2.5923	1.1812	2.3294	1.0946	3.5023	2.8479	2.8479
C2	1.5288		1.5048	2.3856	1.1863	2.2126	2.1281	2.1370	2.1370
C3	2.5923	1.5048		2.8827	2.3913	3.5450	1.0837	1.0874	1.0874
O4	1.1812	2.3856	2.8827		3.4016	2.0021	3.9404	2.8599	2.8599
O5	2.3294	1.1863	2.3913	3.4016		2.5242	2.5474	3.0911	3.0911
H6	1.0946	2.2126	3.5450	2.0021	2.5242		4.3326	3.8523	3.8523
H7	3.5023	2.1281	1.0837	3.9404	2.5474	4.3326		1.7798	1.7798
H8	2.8479	2.1370	1.0874	2.8599	3.0911	3.8523	1.7798		1.7483
H9	2.8479	2.1370	1.0874	2.8599	3.0911	3.8523	1.7798	1.7483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	117.410	C1	C2	O5	117.620
C2	C1	O4	122.843	C2	C1	H6	113.984
C2	C3	H7	109.523	C2	C3	H8	110.012
C2	C3	H9	110.012	C3	C2	O5	124.970
O4	C1	H6	123.173	H7	C3	H8	110.127
H7	C3	H9	110.127	H8	C3	H9	107.011

All results from a given calculation for C₃H₄O₂ (Methyl glyoxal)

using model chemistry: CBS-Q

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 C3H4O2 (Methyl glyoxal)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for C₃H₄O₂ (Methyl glyoxal)