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	hartrees
Energy at 0K	-248.495649
Energy at 298.15K	-248.503742
Nuclear repulsion energy	178.929244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3750	3610	25.18
2	A	3617	3482	24.73
3	A	3144	3027	20.64
4	A	3123	3007	32.35
5	A	3067	2952	20.31
6	A	3055	2941	26.47
7	A	3030	2917	24.27
8	A	1806	1739	305.54
9	A	1654	1592	112.99
10	A	1517	1460	12.64
11	A	1506	1450	9.74
12	A	1477	1422	8.85
13	A	1424	1371	6.68
14	A	1413	1360	83.55
15	A	1300	1251	23.02
16	A	1293	1245	68.37
17	A	1133	1090	1.73
18	A	1106	1065	0.20
19	A	1074	1034	3.04
20	A	1012	975	4.02
21	A	824	793	9.96
22	A	795	765	4.08
23	A	661	636	5.55
24	A	605	582	10.89
25	A	508	489	6.10
26	A	438	422	3.41
27	A	258	248	10.34
28	A	211	203	72.19
29	A	203	195	168.35
30	A	38	36	1.71

Atom	x (Å)	y (Å)	z (Å)
H1	-2.590	-0.038	-0.122
H2	-1.766	-1.557	-0.078
N3	-1.726	-0.554	-0.117
O4	-0.530	1.352	0.066
C5	-0.561	0.138	0.032
H6	0.703	-1.113	1.195
H7	0.595	-1.610	-0.481
C8	0.684	-0.730	0.166
H9	2.843	-0.584	0.059
H10	1.995	0.363	-1.173
H11	2.027	0.931	0.490
C12	1.963	0.037	-0.131

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7289	1.0065	2.4930	2.0430	3.7066	3.5706	3.3592	5.4635	4.7217	4.7576	4.5541
H2	1.7289		1.0046	3.1648	2.0836	2.8138	2.3963	2.5979	4.7127	4.3631	4.5722	4.0561
N3	1.0065	1.0046		2.2585	1.3642	2.8176	2.5763	2.4335	4.5726	3.9758	4.0822	3.7365
O4	2.4930	3.1648	2.2585		1.2146	2.9789	3.2158	2.4122	3.8887	2.9814	2.6256	2.8254
C5	2.0430	2.0836	1.3642	1.2146		2.1253	2.1584	1.5238	3.4796	2.8351	2.7450	2.5312
H6	3.7066	2.8138	2.8176	2.9789	2.1253		1.7518	1.0981	2.4797	3.0754	2.5355	2.1605
H7	3.5706	2.3963	2.5763	3.2158	2.1584	1.7518		1.0964	2.5289	2.5165	3.0745	2.1693
C8	3.3592	2.5979	2.4335	2.4122	1.5238	1.0981	1.0964		2.1662	2.1698	2.1604	1.5204
H9	5.4635	4.7127	4.5726	3.8887	3.4796	2.4797	2.5289	2.1662		1.7699	1.7741	1.0932
H10	4.7217	4.3631	3.9758	2.9814	2.8351	3.0754	2.5165	2.1698	1.7699		1.7582	1.0928
H11	4.7576	4.5722	4.0822	2.6256	2.7450	2.5355	3.0745	2.1604	1.7741	1.7582		1.0908
C12	4.5541	4.0561	3.7365	2.8254	2.5312	2.1605	2.1693	1.5204	1.0932	1.0928	1.0908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	118.564	H1	N3	C5	118.258
H2	N3	C5	122.460	N3	C5	O4	122.175
N3	C5	C8	114.727	O4	C5	C8	123.096
C5	C8	H6	107.188	C5	C8	H7	109.847
C5	C8	C12	112.504	H6	C8	H7	105.926
H6	C8	C12	110.147	H7	C8	C12	110.953
C8	C12	H9	110.899	C8	C12	H10	111.209
C8	C12	H11	110.578	H9	C12	H10	108.130
H9	C12	H11	108.644	H10	C12	H11	107.254

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	H	0.360
2	H	0.359
3	N	-0.804
4	O	-0.375
5	C	0.517
6	H	0.244
7	H	0.225
8	C	-0.565
9	H	0.216
10	H	0.229
11	H	0.243
12	C	-0.648

	x	y	z	Total
	-1.013	-3.574	0.105	3.716
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	127.779
(<r²>)^1/2	11.304

All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)