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	hartrees
Energy at 0K	-264.835708
Energy at 298.15K	-264.837309
HF Energy	-264.300055
Nuclear repulsion energy	141.135091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3591	3412	64.29
2	A'	3482	3308	43.49
3	A'	2150	2043	55.52
4	A'	1671	1588	184.34
5	A'	1367	1298	65.37
6	A'	1126	1070	413.70
7	A'	802	762	12.34
8	A'	708	673	44.19
9	A'	616	585	7.94
10	A'	517	491	29.61
11	A'	200	190	4.32
12	A"	745	708	48.22
13	A"	629	598	133.36
14	A"	621	590	81.87
15	A"	234	223	4.02

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	-0.251	-0.948
C3	-0.527	-2.149
O4	1.366	0.764
O5	-0.874	1.378
H6	-0.764	-3.192
H7	1.494	1.742

	C1	C2	C3	O4	O5	H6	H7
C1		1.4519	2.6829	1.3952	1.2516	3.7527	1.9547
C2	1.4519		1.2320	2.3553	2.4077	2.3020	3.2066
C3	2.6829	1.2320		3.4742	3.5433	1.0700	4.3844
O4	1.3952	2.3553	3.4742		2.3231	4.4933	0.9861
O5	1.2516	2.4077	3.5433	2.3231		4.5712	2.3965
H6	3.7527	2.3020	1.0700	4.4933	4.5712		5.4263
H7	1.9547	3.2066	4.3844	0.9861	2.3965	5.4263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.000	C1	O4	H7	109.131
C2	C1	O4	111.622	C2	C1	O5	125.740
C2	C3	H6	179.815	O4	C1	O5	122.638

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

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

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