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	hartrees
Energy at 0K	-265.207291
Energy at 298.15K	-265.208923
HF Energy	-264.449746
Nuclear repulsion energy	143.379341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3761	3574	99.06
2	A'	3500	3327	61.17
3	A'	2151	2044	58.92
4	A'	1823	1733	263.72
5	A'	1387	1318	107.98
6	A'	1204	1144	347.03
7	A'	830	789	30.80
8	A'	666	633	30.34
9	A'	581	552	5.47
10	A'	530	504	23.43
11	A'	181	172	4.38
12	A"	778	739	58.08
13	A"	669	635	10.51
14	A"	605	575	92.37
15	A"	256	243	6.28

Atom	x (Å)	y (Å)
C1	0.000	0.501
C2	-0.215	-0.944
C3	-0.469	-2.148
O4	1.318	0.795
O5	-0.890	1.326
H6	-0.681	-3.202
H7	1.353	1.769

	C1	C2	C3	O4	O5	H6	H7
C1		1.4602	2.6895	1.3508	1.2139	3.7649	1.8548
C2	1.4602		1.2304	2.3182	2.3684	2.3060	3.1334
C3	2.6895	1.2304		3.4432	3.4994	1.0756	4.3199
O4	1.3508	2.3182	3.4432		2.2709	4.4696	0.9745
O5	1.2139	2.3684	3.4994	2.2709		4.5334	2.2861
H6	3.7649	2.3060	1.0756	4.4696	4.5334		5.3714
H7	1.8548	3.1334	4.3199	0.9745	2.2861	5.3714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.524	C1	O4	H7	104.652
C2	C1	O4	111.054	C2	C1	O5	124.415
C2	C3	H6	179.438	O4	C1	O5	124.530

All results from a given calculation for C₃H₂O₂ (Propiolic acid)

using model chemistry: MP2=FULL/cc-pVDZ

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 C3H2O2 (Propiolic acid)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₂O₂ (Propiolic acid)