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	hartrees
Energy at 0K	-45.835318
Energy at 298.15K	-45.844032
Nuclear repulsion energy	99.866713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3973	3625	36.45
2	A	3811	3477	42.77
3	A	3279	2992	34.73
4	A	3242	2959	62.43
5	A	3213	2932	27.22
6	A	3169	2891	17.29
7	A	3156	2880	56.22
8	A	1821	1662	380.60
9	A	1793	1636	107.77
10	A	1643	1499	12.85
11	A	1632	1489	7.97
12	A	1621	1479	6.51
13	A	1560	1423	2.49
14	A	1542	1407	92.28
15	A	1416	1292	112.16
16	A	1396	1274	64.82
17	A	1233	1125	8.06
18	A	1215	1108	2.82
19	A	1166	1064	11.79
20	A	1091	995	4.48
21	A	889	811	21.74
22	A	860	785	0.20
23	A	721	658	91.61
24	A	639	583	87.49
25	A	562	513	101.49
26	A	522	477	127.13
27	A	461	421	5.16
28	A	275	251	11.21
29	A	219	199	0.59
30	A	33	30	3.20

Atom	x (Å)	y (Å)	z (Å)
H1	-2.586	-0.030	-0.245
H2	-1.770	-1.534	-0.190
N3	-1.741	-0.544	-0.147
O4	-0.562	1.386	0.096
C5	-0.573	0.147	0.058
H6	0.746	-0.920	1.323
H7	0.572	-1.644	-0.256
C8	0.683	-0.695	0.260
H9	2.834	-0.579	0.026
H10	1.941	0.211	-1.270
H11	2.059	0.983	0.299
C12	1.961	0.027	-0.200

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7124	0.9942	2.4939	2.0432	3.7893	3.5466	3.3737	5.4544	4.6482	4.7851	4.5477
H2	1.7124		0.9914	3.1731	2.0785	2.9998	2.3450	2.6309	4.7065	4.2408	4.6079	4.0443
N3	0.9942	0.9914		2.2749	1.3724	2.9136	2.5634	2.4621	4.5781	3.9232	4.1194	3.7462
O4	2.4939	3.1731	2.2749		1.2394	2.9214	3.2545	2.4300	3.9238	3.0841	2.6592	2.8807
C5	2.0432	2.0785	1.3724	1.2394		2.1171	2.1492	1.5255	3.4837	2.8441	2.7721	2.5501
H6	3.7893	2.9998	2.9136	2.9214	2.1171		1.7465	1.0884	2.4810	3.0707	2.5284	2.1659
H7	3.5466	2.3450	2.5634	3.2545	2.1492	1.7465		1.0868	2.5163	2.5190	3.0696	2.1742
C8	3.3737	2.6309	2.4621	2.4300	1.5255	1.0884	1.0868		2.1670	2.1784	2.1702	1.5385
H9	5.4544	4.7065	4.5781	3.9238	3.4837	2.4810	2.5163	2.1670		1.7604	1.7649	1.0863
H10	4.6482	4.2408	3.9232	3.0841	2.8441	3.0707	2.5190	2.1784	1.7604		1.7520	1.0857
H11	4.7851	4.6079	4.1194	2.6592	2.7721	2.5284	3.0696	2.1702	1.7649	1.7520		1.0825
C12	4.5477	4.0443	3.7462	2.8807	2.5501	2.1659	2.1742	1.5385	1.0863	1.0857	1.0825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	119.176	H1	N3	C5	118.524
H2	N3	C5	122.297	N3	C5	O4	121.066
N3	C5	C8	116.248	O4	C5	C8	122.675
C5	C8	H6	106.995	C5	C8	H7	109.577
C5	C8	C12	112.672	H6	C8	H7	106.822
H6	C8	C12	109.898	H7	C8	C12	110.648
C8	C12	H9	110.101	C8	C12	H10	111.046
C8	C12	H11	110.589	H9	C12	H10	108.290
H9	C12	H11	108.931	H10	C12	H11	107.806

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	H	0.359
2	H	0.347
3	N	-0.665
4	O	-0.359
5	C	0.365
6	H	0.174
7	H	0.138
8	C	-0.379
9	H	0.145
10	H	0.147
11	H	0.183
12	C	-0.455

	x	y	z	Total
	-0.531	-4.495	-0.146	4.529
CHELPG
AIM
ESP

	x	y	z
x	6.451	0.292	0.143
y	0.292	6.559	0.045
z	0.143	0.045	4.723

<r²>	108.099
(<r²>)^1/2	10.397

All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)