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	hartrees
Energy at 0K	-247.933409
Energy at 298.15K	-247.941804
HF Energy	-247.065780
Nuclear repulsion energy	178.857948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3575	29.57
2	A	3639	3446	33.91
3	A	3201	3032	15.24
4	A	3184	3016	22.75
5	A	3130	2965	12.40
6	A	3098	2934	20.60
7	A	3078	2915	18.88
8	A	1814	1718	251.70
9	A	1689	1600	95.17
10	A	1542	1461	13.12
11	A	1535	1454	9.60
12	A	1509	1430	8.46
13	A	1454	1377	4.71
14	A	1437	1361	92.38
15	A	1319	1249	8.34
16	A	1313	1243	74.45
17	A	1157	1096	4.23
18	A	1127	1067	0.15
19	A	1096	1038	4.93
20	A	1030	976	3.48
21	A	836	792	11.04
22	A	816	772	4.61
23	A	650	616	11.73
24	A	615	583	32.28
25	A	504	477	28.87
26	A	450	427	7.50
27	A	397	376	235.14
28	A	265	251	9.84
29	A	220	209	0.08
30	A	40	38	2.18

Atom	x (Å)	y (Å)	z (Å)
H1	-2.579	-0.018	-0.027
H2	-1.775	-1.531	0.073
N3	-1.733	-0.550	-0.144
O4	-0.515	1.356	0.065
C5	-0.557	0.138	0.031
H6	0.689	-1.160	1.162
H7	0.586	-1.590	-0.537
C8	0.678	-0.741	0.148
H9	2.835	-0.602	0.023
H10	1.973	0.424	-1.136
H11	2.034	0.888	0.559
C12	1.960	0.036	-0.116

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7160	1.0069	2.4813	2.0284	3.6600	3.5707	3.3413	5.4457	4.7062	4.7373	4.5398
H2	1.7160		1.0050	3.1499	2.0664	2.7191	2.4396	2.5784	4.7032	4.3969	4.5380	4.0544
N3	1.0069	1.0050		2.2718	1.3732	2.8177	2.5713	2.4360	4.5710	3.9580	4.0925	3.7385
O4	2.4813	3.1499	2.2718		1.2191	2.9970	3.2024	2.4145	3.8803	2.9158	2.6380	2.8105
C5	2.0284	2.0664	1.3732	1.2191		2.1255	2.1488	1.5214	3.4723	2.8012	2.7488	2.5234
H6	3.6600	2.7191	2.8177	2.9970	2.1255		1.7559	1.0971	2.4931	3.0721	2.5231	2.1629
H7	3.5707	2.4396	2.5713	3.2024	2.1488	1.7559		1.0948	2.5197	2.5178	3.0722	2.1699
C8	3.3413	2.5784	2.4360	2.4145	1.5214	1.0971	1.0948		2.1649	2.1639	2.1589	1.5217
H9	5.4457	4.7032	4.5710	3.8803	3.4723	2.4931	2.5197	2.1649		1.7712	1.7744	1.0919
H10	4.7062	4.3969	3.9580	2.9158	2.8012	3.0721	2.5178	2.1639	1.7712		1.7581	1.0911
H11	4.7373	4.5380	4.0925	2.6380	2.7488	2.5231	3.0722	2.1589	1.7744	1.7581		1.0895
C12	4.5398	4.0544	3.7385	2.8105	2.5234	2.1629	2.1699	1.5217	1.0919	1.0911	1.0895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	117.065	H1	N3	C5	116.065
H2	N3	C5	119.863	N3	C5	O4	122.308
N3	C5	C8	114.518	O4	C5	C8	123.163
C5	C8	H6	107.426	C5	C8	H7	109.364
C5	C8	C12	112.042	H6	C8	H7	106.472
H6	C8	C12	110.316	H7	C8	C12	111.006
C8	C12	H9	110.779	C8	C12	H10	110.750
C8	C12	H11	110.445	H9	C12	H10	108.453
H9	C12	H11	108.856	H10	C12	H11	107.463

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)