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	hartrees
Energy at 0K	-248.438363
Energy at 298.15K	-248.446148
Nuclear repulsion energy	176.727225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3597	18.68
2	A	3485	3459	14.21
3	A	3070	3046	17.36
4	A	3046	3023	34.02
5	A	2986	2963	28.20
6	A	2982	2959	23.20
7	A	2953	2930	23.38
8	A	1723	1710	229.10
9	A	1573	1561	85.40
10	A	1485	1473	6.45
11	A	1472	1461	5.80
12	A	1444	1433	3.65
13	A	1383	1372	5.61
14	A	1352	1342	43.85
15	A	1261	1251	43.96
16	A	1244	1234	70.62
17	A	1089	1081	2.29
18	A	1068	1060	0.40
19	A	1020	1012	4.23
20	A	976	969	1.71
21	A	791	785	6.48
22	A	757	751	5.24
23	A	657	652	7.50
24	A	573	569	5.98
25	A	499	495	11.32
26	A	421	418	3.02
27	A	254	252	7.42
28	A	207	206	1.49
29	A	92	91	203.92
30	A	39	39	0.36

Atom	x (Å)	y (Å)	z (Å)
H1	-2.589	-0.080	-0.296
H2	-1.723	-1.597	-0.276
N3	-1.727	-0.593	-0.129
O4	-0.570	1.371	0.086
C5	-0.567	0.136	0.050
H6	0.775	-0.924	1.343
H7	0.613	-1.685	-0.242
C8	0.708	-0.707	0.261
H9	2.882	-0.526	0.070
H10	1.975	0.178	-1.295
H11	2.016	1.031	0.261
C12	1.975	0.036	-0.203

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7475	1.0169	2.5148	2.0622	3.8356	3.5823	3.4016	5.5007	4.6786	4.7693	4.5660
H2	1.7475		1.0152	3.2047	2.1087	3.0520	2.3380	2.6441	4.7404	4.2265	4.6017	4.0431
N3	1.0169	1.0152		2.2892	1.3814	2.9215	2.5850	2.4685	4.6135	3.9569	4.0986	3.7556
O4	2.5148	3.2047	2.2892		1.2353	2.9417	3.2934	2.4453	3.9383	3.1311	2.6141	2.8883
C5	2.0622	2.1087	1.3814	1.2353		2.1437	2.1899	1.5429	3.5119	2.8762	2.7419	2.5567
H6	3.8356	3.0520	2.9215	2.9417	2.1437		1.7663	1.1058	2.4936	3.1004	2.5555	2.1795
H7	3.5823	2.3380	2.5850	3.2934	2.1899	1.7663		1.1045	2.5669	2.5365	3.0982	2.1949
C8	3.4016	2.6441	2.4685	2.4453	1.5429	1.1058	1.1045		2.1896	2.1927	2.1748	1.5399
H9	5.5007	4.7404	4.6135	3.9383	3.5119	2.4936	2.5669	2.1896		1.7835	1.7911	1.1007
H10	4.6786	4.2265	3.9569	3.1311	2.8762	3.1004	2.5365	2.1927	1.7835		1.7750	1.1013
H11	4.7693	4.6017	4.0986	2.6141	2.7419	2.5555	3.0982	2.1748	1.7911	1.7750		1.0989
C12	4.5660	4.0431	3.7556	2.8883	2.5567	2.1795	2.1949	1.5399	1.1007	1.1013	1.0989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	118.621	H1	N3	C5	117.796
H2	N3	C5	122.517	N3	C5	O4	121.958
N3	C5	C8	115.047	O4	C5	C8	122.946
C5	C8	H6	106.906	C5	C8	H7	110.532
C5	C8	C12	112.059	H6	C8	H7	106.100
H6	C8	C12	109.849	H7	C8	C12	111.132
C8	C12	H9	110.937	C8	C12	H10	111.153
C8	C12	H11	109.883	H9	C12	H10	108.177
H9	C12	H11	109.035	H10	C12	H11	107.561

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: BLYP/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	H	0.255
2	H	0.245
3	N	-0.554
4	O	-0.475
5	C	0.529
6	H	0.116
7	H	0.075
8	C	-0.222
9	H	0.081
10	H	0.099
11	H	0.124
12	C	-0.275

	x	y	z	Total
	-0.838	-3.325	-0.392	3.451
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>	130.100
(<r²>)^1/2	11.406

All results from a given calculation for C3H7NO (Propanamide)

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

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)