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	hartrees
Energy at 0K	-247.649294
Energy at 298.15K	-247.657605
HF Energy	-247.011157
Nuclear repulsion energy	179.539594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3864	3569	45.51
2	A	3737	3452	49.46
3	A	3274	3024	19.83
4	A	3258	3009	23.37
5	A	3198	2954	13.23
6	A	3181	2938	20.24
7	A	3156	2916	20.07
8	A	1922	1775	313.27
9	A	1724	1592	130.03
10	A	1596	1474	11.89
11	A	1589	1468	5.42
12	A	1573	1453	4.43
13	A	1526	1410	21.71
14	A	1505	1390	63.16
15	A	1366	1262	96.52
16	A	1364	1259	14.55
17	A	1197	1106	1.96
18	A	1173	1084	0.49
19	A	1134	1047	3.41
20	A	1064	983	3.57
21	A	865	799	12.60
22	A	847	783	2.62
23	A	651	602	20.81
24	A	637	588	14.62
25	A	516	477	13.95
26	A	466	431	4.82
27	A	278	256	286.79
28	A	271	250	9.85
29	A	224	207	0.75
30	A	27	25	1.25

Atom	x (Å)	y (Å)	z (Å)
H1	-2.580	0.012	0.054
H2	-1.800	-1.513	0.118
N3	-1.744	-0.531	-0.067
O4	-0.500	1.346	0.022
C5	-0.557	0.136	0.007
H6	0.634	-1.348	0.954
H7	0.604	-1.463	-0.787
C8	0.671	-0.753	0.039
H9	2.822	-0.631	0.007
H10	2.016	0.616	-0.951
H11	2.033	0.739	0.798
C12	1.965	0.040	-0.030

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7141	1.0033	2.4712	2.0274	3.6035	3.6081	3.3395	5.4402	4.7431	4.7290	4.5459
H2	1.7141		1.0015	3.1422	2.0684	2.5783	2.5694	2.5864	4.7068	4.4985	4.4975	4.0754
N3	1.0033	1.0015		2.2532	1.3639	2.7137	2.6274	2.4277	4.5681	4.0294	4.0780	3.7532
O4	2.4712	3.1422	2.2532		1.2110	3.0673	3.1244	2.4031	3.8655	2.7947	2.7179	2.7903
C5	2.0274	2.0684	1.3639	1.2110		2.1250	2.1297	1.5161	3.4648	2.7871	2.7744	2.5242
H6	3.6035	2.5783	2.7137	3.0673	2.1250		1.7455	1.0925	2.4901	3.0650	2.5176	2.1604
H7	3.6081	2.5694	2.6274	3.1244	2.1297	1.7455		1.0912	2.4985	2.5178	3.0664	2.1638
C8	3.3395	2.5864	2.4277	2.4031	1.5161	1.0925	1.0912		2.1549	2.1588	2.1582	1.5191
H9	5.4402	4.7068	4.5681	3.8655	3.4648	2.4901	2.4985	2.1549		1.7663	1.7673	1.0885
H10	4.7431	4.4985	4.0294	2.7947	2.7871	3.0650	2.5178	2.1588	1.7663		1.7529	1.0868
H11	4.7290	4.4975	4.0780	2.7179	2.7744	2.5176	3.0664	2.1582	1.7673	1.7529		1.0863
C12	4.5459	4.0754	3.7532	2.7903	2.5242	2.1604	2.1638	1.5191	1.0885	1.0868	1.0863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	117.517	H1	N3	C5	117.020
H2	N3	C5	121.194	N3	C5	O4	121.997
N3	C5	C8	114.807	O4	C5	C8	123.183
C5	C8	H6	108.002	C5	C8	H7	108.431
C5	C8	C12	112.534	H6	C8	H7	106.134
H6	C8	C12	110.569	H7	C8	C12	110.916
C8	C12	H9	110.367	C8	C12	H10	110.790
C8	C12	H11	110.767	H9	C12	H10	108.578
H9	C12	H11	108.712	H10	C12	H11	107.539

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)