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	hartrees
Energy at 0K	-247.835072
Energy at 298.15K	-247.843394
HF Energy	-247.032581
Nuclear repulsion energy	178.636257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3579	47.97
2	A	3661	3438	46.39
3	A	3247	3050	11.70
4	A	3226	3029	23.48
5	A	3176	2983	13.54
6	A	3133	2943	23.81
7	A	3119	2930	18.19
8	A	1779	1671	311.48
9	A	1663	1562	94.24
10	A	1552	1458	10.03
11	A	1543	1449	7.22
12	A	1518	1425	5.83
13	A	1459	1370	4.90
14	A	1445	1357	74.38
15	A	1324	1244	55.28
16	A	1313	1233	54.95
17	A	1152	1082	1.82
18	A	1131	1062	0.98
19	A	1086	1020	7.58
20	A	1039	975	2.88
21	A	835	784	4.92
22	A	818	768	2.12
23	A	672	631	3.34
24	A	603	567	25.67
25	A	515	484	11.19
26	A	440	413	1.86
27	A	325	305	233.64
28	A	263	247	10.56
29	A	225	211	0.44
30	A	38	36	3.82

Atom	x (Å)	y (Å)	z (Å)
H1	-2.569	-0.093	-0.185
H2	-1.715	-1.586	-0.060
N3	-1.693	-0.591	-0.200
O4	-0.563	1.362	0.097
C5	-0.557	0.131	0.058
H6	0.773	-0.869	1.357
H7	0.595	-1.665	-0.197
C8	0.699	-0.691	0.282
H9	2.836	-0.549	0.013
H10	1.897	0.177	-1.294
H11	2.025	1.006	0.252
C12	1.943	0.030	-0.217

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7243	1.0077	2.4943	2.0390	3.7617	3.5331	3.3544	5.4274	4.6093	4.7434	4.5139
H2	1.7243		1.0052	3.1699	2.0748	2.9526	2.3162	2.5978	4.6686	4.2047	4.5617	4.0029
N3	1.0077	1.0052		2.2763	1.3707	2.9301	2.5278	2.4419	4.5340	3.8306	4.0716	3.6889
O4	2.4943	3.1699	2.2763		1.2324	2.8906	3.2548	2.4168	3.9003	3.0645	2.6167	2.8558
C5	2.0390	2.0748	1.3707	1.2324		2.1112	2.1488	1.5168	3.4602	2.8019	2.7328	2.5171
H6	3.7617	2.9526	2.9301	2.8906	2.1112		1.7555	1.0927	2.4827	3.0638	2.5113	2.1576
H7	3.5331	2.3162	2.5278	3.2548	2.1488	1.7555		1.0910	2.5119	2.5078	3.0629	2.1657
C8	3.3544	2.5978	2.4419	2.4168	1.5168	1.0927	1.0910		2.1585	2.1613	2.1537	1.5219
H9	5.4274	4.6686	4.5340	3.9003	3.4602	2.4827	2.5119	2.1585		1.7654	1.7703	1.0883
H10	4.6093	4.2047	3.8306	3.0645	2.8019	3.0638	2.5078	2.1613	1.7654		1.7591	1.0883
H11	4.7434	4.5617	4.0716	2.6167	2.7328	2.5113	3.0629	2.1537	1.7703	1.7591		1.0862
C12	4.5139	4.0029	3.6889	2.8558	2.5171	2.1576	2.1657	1.5219	1.0883	1.0883	1.0862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	117.889	H1	N3	C5	117.215
H2	N3	C5	120.915	N3	C5	O4	121.875
N3	C5	C8	115.395	O4	C5	C8	122.729
C5	C8	H6	106.878	C5	C8	H7	109.894
C5	C8	C12	111.853	H6	C8	H7	107.009
H6	C8	C12	110.135	H7	C8	C12	110.880
C8	C12	H9	110.467	C8	C12	H10	110.696
C8	C12	H11	110.211	H9	C12	H10	108.404
H9	C12	H11	109.002	H10	C12	H11	107.994

All results from a given calculation for C₃H₇NO (Propanamide)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)