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	hartrees
Energy at 0K	-247.816823
Energy at 298.15K	-247.825041
HF Energy	-247.025490
Nuclear repulsion energy	178.915268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3830	3579	40.94
2	A	3683	3441	44.21
3	A	3259	3045	14.66
4	A	3243	3030	20.59
5	A	3179	2970	12.92
6	A	3148	2942	18.81
7	A	3124	2919	17.10
8	A	1824	1704	230.87
9	A	1667	1557	102.47
10	A	1563	1461	7.94
11	A	1556	1454	5.21
12	A	1530	1429	4.28
13	A	1471	1374	6.31
14	A	1453	1358	69.21
15	A	1328	1241	5.53
16	A	1322	1235	92.69
17	A	1158	1082	1.20
18	A	1133	1059	0.21
19	A	1096	1024	2.94
20	A	1037	969	3.16
21	A	838	783	8.21
22	A	820	766	3.60
23	A	643	601	9.96
24	A	611	571	19.92
25	A	505	472	12.37
26	A	449	419	3.32
27	A	276	258	248.54
28	A	264	247	9.60
29	A	219	204	0.88
30	A	25	23	2.38

Atom	x (Å)	y (Å)	z (Å)
H1	-2.582	-0.006	-0.017
H2	-1.788	-1.531	0.058
N3	-1.738	-0.544	-0.114
O4	-0.504	1.361	0.052
C5	-0.555	0.135	0.023
H6	0.671	-1.223	1.100
H7	0.588	-1.557	-0.614
C8	0.676	-0.750	0.115
H9	2.826	-0.610	0.023
H10	1.982	0.476	-1.084
H11	2.024	0.845	0.629
C12	1.959	0.036	-0.091

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7207	1.0055	2.4886	2.0323	3.6487	3.5790	3.3442	5.4419	4.7124	4.7285	4.5414
H2	1.7207		1.0036	3.1645	2.0728	2.6887	2.4695	2.5853	4.7053	4.4217	4.5284	4.0639
N3	1.0055	1.0036		2.2755	1.3702	2.7819	2.5855	2.4330	4.5662	3.9775	4.0782	3.7414
O4	2.4886	3.1645	2.2755		1.2279	3.0266	3.1859	2.4194	3.8700	2.8734	2.6438	2.8003
C5	2.0323	2.0728	1.3702	1.2279		2.1231	2.1386	1.5186	3.4622	2.7896	2.7429	2.5182
H6	3.6487	2.6887	2.7819	3.0266	2.1231		1.7484	1.0926	2.4858	3.0623	2.5163	2.1589
H7	3.5790	2.4695	2.5855	3.1859	2.1386	1.7484		1.0911	2.5121	2.5095	3.0624	2.1653
C8	3.3442	2.5853	2.4330	2.4194	1.5186	1.0926	1.0911		2.1569	2.1563	2.1513	1.5185
H9	5.4419	4.7053	4.5662	3.8700	3.4622	2.4858	2.5121	2.1569		1.7655	1.7692	1.0876
H10	4.7124	4.4217	3.9775	2.8734	2.7896	3.0623	2.5095	2.1563	1.7655		1.7529	1.0867
H11	4.7285	4.5284	4.0782	2.6438	2.7429	2.5163	3.0624	2.1513	1.7692	1.7529		1.0855
C12	4.5414	4.0639	3.7414	2.8003	2.5182	2.1589	2.1653	1.5185	1.0876	1.0867	1.0855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	117.834	H1	N3	C5	116.781
H2	N3	C5	120.886	N3	C5	O4	122.186
N3	C5	C8	114.652	O4	C5	C8	123.155
C5	C8	H6	107.675	C5	C8	H7	108.970
C5	C8	C12	112.021	H6	C8	H7	106.389
H6	C8	C12	110.481	H7	C8	C12	111.088
C8	C12	H9	110.626	C8	C12	H10	110.633
C8	C12	H11	110.304	H9	C12	H10	108.588
H9	C12	H11	109.007	H10	C12	H11	107.607

All results from a given calculation for C₃H₇NO (Propanamide)

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 C3H7NO (Propanamide)

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

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)