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	hartrees
Energy at 0K	-246.899866
Energy at 298.15K	-246.908290
HF Energy	-246.899866
Nuclear repulsion energy	178.550667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3568	31.73
2	A	3571	3440	30.28
3	A	3176	3060	12.13
4	A	3164	3048	19.58
5	A	3107	2993	9.24
6	A	3089	2976	16.31
7	A	3066	2953	14.76
8	A	1783	1717	201.44
9	A	1678	1617	88.44
10	A	1563	1506	11.17
11	A	1554	1497	11.62
12	A	1515	1460	12.66
13	A	1465	1412	24.83
14	A	1403	1352	90.81
15	A	1331	1282	15.05
16	A	1324	1276	76.22
17	A	1148	1106	3.04
18	A	1137	1095	0.34
19	A	1086	1046	3.32
20	A	1034	996	4.15
21	A	853	822	30.96
22	A	791	762	5.07
23	A	679	654	71.83
24	A	611	589	12.97
25	A	534	514	137.84
26	A	501	483	107.22
27	A	459	442	4.84
28	A	272	262	11.98
29	A	185	178	0.20
30	A	9	9	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.950	0.033	-0.065
C2	-0.664	-0.779	0.081
C3	0.555	0.138	0.015
O4	0.471	1.371	0.034
N5	1.745	-0.526	-0.049
H6	-2.832	-0.597	0.089
H7	-1.952	0.849	0.662
H8	-2.005	0.483	-1.060
H9	-0.587	-1.543	-0.704
H10	-0.647	-1.302	1.048
H11	1.800	-1.535	-0.071
H12	2.600	0.014	-0.076

	C1	C2	C3	O4	N5	H6	H7	H8	H9	H10	H11	H12
C1		1.5272	2.5078	2.7675	3.7363	1.0942	1.0932	1.0942	2.1792	2.1716	4.0639	4.5499
C2	1.5272		1.5264	2.4314	2.4253	2.1751	2.1558	2.1660	1.0979	1.0994	2.5817	3.3628
C3	2.5078	1.5264		1.2363	1.3641	3.4656	2.6848	2.7976	2.1550	2.1404	2.0869	2.0513
O4	2.7675	2.4314	1.2363		2.2867	3.8443	2.5566	2.8485	3.1863	3.0693	3.1970	2.5277
N5	3.7363	2.4253	1.3641	2.2867		4.5787	4.0078	4.0123	2.6261	2.7426	1.0102	1.0121
H6	1.0942	2.1751	3.4656	3.8443	4.5787		1.7866	1.7806	2.5621	2.4879	4.7281	5.4684
H7	1.0932	2.1558	2.6848	2.5566	4.0078	1.7866		1.7620	3.0745	2.5456	4.5053	4.6867
H8	1.0942	2.1660	2.7976	2.8485	4.0123	1.7806	1.7620		2.4982	3.0779	4.4185	4.7324
H9	2.1792	1.0979	2.1550	3.1863	2.6261	2.5621	3.0745	2.4982		1.7691	2.4689	3.6018
H10	2.1716	1.0994	2.1404	3.0693	2.7426	2.4879	2.5456	3.0779	1.7691		2.7002	3.6789
H11	4.0639	2.5817	2.0869	3.1970	1.0102	4.7281	4.5053	4.4185	2.4689	2.7002		1.7430
H12	4.5499	3.3628	2.0513	2.5277	1.0121	5.4684	4.6867	4.7324	3.6018	3.6789	1.7430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	34.799	H1	N3	C5	148.120
H2	N3	C5	113.966	N3	C5	O4	26.942
N3	C5	C8	22.236	O4	C5	C8	43.940
C5	C8	H6	96.814	C5	C8	H7	77.166
C5	C8	C12	9.362	H6	C8	H7	60.570
H6	C8	C12	104.912	H7	C8	C12	77.763
C8	C12	H9	31.305	C8	C12	H10	40.554
C8	C12	H11	69.008	H9	C12	H10	28.100
H9	C12	H11	37.841	H10	C12	H11	43.639

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)