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	hartrees
Energy at 0K	-247.762352
Energy at 298.15K	-247.770662
HF Energy	-247.009976
Nuclear repulsion energy	178.720287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3534	34.79
2	A	3645	3421	39.76
3	A	3211	3014	17.60
4	A	3198	3002	20.15
5	A	3133	2940	11.34
6	A	3120	2928	18.15
7	A	3091	2902	18.06
8	A	1885	1769	270.34
9	A	1683	1580	119.18
10	A	1560	1464	11.47
11	A	1553	1458	5.70
12	A	1538	1444	4.80
13	A	1485	1393	18.53
14	A	1466	1376	69.15
15	A	1333	1251	94.41
16	A	1328	1246	2.26
17	A	1172	1100	2.71
18	A	1143	1073	0.21
19	A	1110	1042	3.13
20	A	1041	977	3.21
21	A	843	792	11.56
22	A	830	779	3.65
23	A	634	595	35.08
24	A	618	580	6.85
25	A	500	469	32.44
26	A	459	431	10.65
27	A	352	331	263.20
28	A	266	249	9.17
29	A	215	202	0.21
30	A	29	27	1.19

Atom	x (Å)	y (Å)	z (Å)
H1	-2.582	0.024	0.104
H2	-1.806	-1.506	0.195
N3	-1.756	-0.533	-0.064
O4	-0.497	1.352	0.013
C5	-0.557	0.135	0.004
H6	0.627	-1.401	0.900
H7	0.613	-1.432	-0.854
C8	0.673	-0.759	0.011
H9	2.833	-0.634	0.002
H10	2.026	0.664	-0.903
H11	2.031	0.701	0.859
C12	1.971	0.040	-0.009

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7181	1.0101	2.4738	2.0305	3.6006	3.6395	3.3496	5.4559	4.7597	4.7228	4.5549
H2	1.7181		1.0086	3.1485	2.0710	2.5349	2.6375	2.5957	4.7239	4.5381	4.4752	4.0861
N3	1.0101	1.0086		2.2675	1.3738	2.7135	2.6543	2.4410	4.5906	4.0542	4.0878	3.7713
O4	2.4738	3.1485	2.2675		1.2181	3.1035	3.1195	2.4135	3.8771	2.7704	2.7436	2.7954
C5	2.0305	2.0710	1.3738	1.2181		2.1373	2.1355	1.5212	3.4764	2.7879	2.7835	2.5304
H6	3.6006	2.5349	2.7135	3.1035	2.1373		1.7544	1.0984	2.5024	3.0781	2.5282	2.1704
H7	3.6395	2.6375	2.6543	3.1195	2.1355	1.7544		1.0971	2.5094	2.5279	3.0804	2.1735
C8	3.3496	2.5957	2.4410	2.4135	1.5212	1.0984	1.0971		2.1633	2.1653	2.1660	1.5241
H9	5.4559	4.7239	4.5906	3.8771	3.4764	2.5024	2.5094	2.1633		1.7767	1.7772	1.0939
H10	4.7597	4.5381	4.0542	2.7704	2.7879	3.0781	2.5279	2.1653	1.7767		1.7618	1.0921
H11	4.7228	4.4752	4.0878	2.7436	2.7835	2.5282	3.0804	2.1660	1.7772	1.7618		1.0920
C12	4.5549	4.0861	3.7713	2.7954	2.5304	2.1704	2.1735	1.5241	1.0939	1.0921	1.0920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	116.657	H1	N3	C5	115.962
H2	N3	C5	119.973	N3	C5	O4	121.940
N3	C5	C8	114.856	O4	C5	C8	123.164
C5	C8	H6	108.275	C5	C8	H7	108.203
C5	C8	C12	112.385	H6	C8	H7	106.087
H6	C8	C12	110.661	H7	C8	C12	110.981
C8	C12	H9	110.365	C8	C12	H10	110.631
C8	C12	H11	110.695	H9	C12	H10	108.739
H9	C12	H11	108.787	H10	C12	H11	107.545

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)