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	hartrees
Energy at 0K	-248.408145
Energy at 298.15K
HF Energy	-248.408145
Nuclear repulsion energy	179.071215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3559	45.92
2	A	3628	3436	47.97
3	A	3188	3019	15.80
4	A	3179	3011	18.10
5	A	3115	2950	11.02
6	A	3101	2937	18.19
7	A	3076	2913	16.22
8	A	1864	1766	298.06
9	A	1649	1561	135.34
10	A	1530	1449	11.32
11	A	1526	1445	5.83
12	A	1500	1420	4.99
13	A	1448	1371	21.59
14	A	1431	1355	66.53
15	A	1303	1234	91.94
16	A	1298	1230	5.34
17	A	1142	1082	0.79
18	A	1112	1053	0.09
19	A	1089	1032	1.37
20	A	1017	963	4.24
21	A	821	778	9.59
22	A	812	769	3.17
23	A	640	607	10.98
24	A	611	579	8.99
25	A	508	481	5.81
26	A	450	426	3.99
27	A	264	250	9.87
28	A	201	191	25.47
29	A	191	181	237.53
30	A	8i	8i	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.962	0.038	-0.019
C2	-0.671	-0.767	0.024
C3	0.556	0.138	0.005
O4	0.485	1.351	0.014
N5	1.751	-0.523	-0.041
H6	-2.831	-0.623	-0.001
H7	-2.016	0.717	0.835
H8	-2.002	0.649	-0.923
H9	-0.607	-1.456	-0.827
H10	-0.626	-1.388	0.928
H11	1.813	-1.522	0.071
H12	2.596	0.024	0.036

	C1	C2	C3	O4	N5	H6	H7	H8	H9	H10	H11	H12
C1		1.5218	2.5192	2.7764	3.7548	1.0929	1.0920	1.0921	2.1732	2.1703	4.0852	4.5577
C2	1.5218		1.5236	2.4120	2.4347	2.1657	2.1611	2.1617	1.0969	1.0976	2.5962	3.3607
C3	2.5192	1.5236		1.2151	1.3667	3.4714	2.7637	2.7685	2.1410	2.1388	2.0834	2.0437
O4	2.7764	2.4120	1.2151		2.2621	3.8592	2.7075	2.7484	3.1268	3.0932	3.1657	2.4935
N5	3.7548	2.4347	1.3667	2.2621		4.5837	4.0617	4.0295	2.6546	2.7090	1.0076	1.0094
H6	1.0929	2.1657	3.4714	3.8592	4.5837		1.7775	1.7768	2.5152	2.5115	4.7309	5.4658
H7	1.0920	2.1611	2.7637	2.7075	4.0617	1.7775		1.7592	3.0777	2.5238	4.5011	4.7317
H8	1.0921	2.1617	2.7685	2.7484	4.0295	1.7768	1.7592		2.5277	3.0765	4.5007	4.7383
H9	2.1732	1.0969	2.1410	3.1268	2.6546	2.5152	3.0777	2.5277		1.7560	2.5815	3.6320
H10	2.1703	1.0976	2.1388	3.0932	2.7090	2.5115	2.5238	3.0765	1.7560		2.5888	3.6291
H11	4.0852	2.5962	2.0834	3.1657	1.0076	4.7309	4.5011	4.5007	2.5815	2.5888		1.7337
H12	4.5577	3.3607	2.0437	2.4935	1.0094	5.4658	4.7317	4.7383	3.6320	3.6291	1.7337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	34.165	H1	N3	C5	148.716
H2	N3	C5	114.675	N3	C5	O4	27.017
N3	C5	C8	18.575	O4	C5	C8	40.800
C5	C8	H6	96.482	C5	C8	H7	78.470
C5	C8	C12	9.434	H6	C8	H7	60.353
H6	C8	C12	104.678	H7	C8	C12	79.084
C8	C12	H9	31.797	C8	C12	H10	40.486
C8	C12	H11	71.546	H9	C12	H10	27.991
H9	C12	H11	40.800	H10	C12	H11	41.157

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.468
2	C	-0.409
3	C	0.610
4	O	-0.510
5	N	-0.808
6	H	0.155
7	H	0.180
8	H	0.179
9	H	0.177
10	H	0.175
11	H	0.354
12	H	0.364

	x	y	z	Total
	1.008	-3.469	0.320	3.626
CHELPG
AIM
ESP

	x	y	z
x	6.831	-0.333	-0.017
y	-0.333	6.467	0.007
z	-0.017	0.007	4.327

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)