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	hartrees
Energy at 0K	-248.459549
Energy at 298.15K	-248.467633
Nuclear repulsion energy	178.492954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3616	43.67
2	A	3622	3478	36.73
3	A	3161	3035	13.87
4	A	3140	3015	25.32
5	A	3087	2964	16.98
6	A	3064	2942	26.74
7	A	3044	2922	20.83
8	A	1790	1719	346.09
9	A	1624	1560	122.18
10	A	1505	1445	12.72
11	A	1493	1434	8.87
12	A	1467	1408	7.86
13	A	1416	1360	27.95
14	A	1407	1351	60.81
15	A	1294	1242	69.50
16	A	1280	1228	26.89
17	A	1123	1078	1.56
18	A	1100	1056	0.36
19	A	1064	1022	4.57
20	A	1011	971	4.57
21	A	817	784	7.54
22	A	796	764	2.99
23	A	666	639	3.85
24	A	597	573	9.16
25	A	512	491	7.28
26	A	436	418	3.17
27	A	256	245	9.27
28	A	217	208	203.07
29	A	205	197	16.50
30	A	35	33	3.13

Atom	x (Å)	y (Å)	z (Å)
H1	-2.581	-0.074	-0.214
H2	-1.728	-1.585	-0.163
N3	-1.710	-0.579	-0.147
O4	-0.560	1.356	0.084
C5	-0.562	0.133	0.047
H6	0.749	-0.945	1.312
H7	0.601	-1.659	-0.287
C8	0.697	-0.702	0.242
H9	2.851	-0.553	0.054
H10	1.959	0.226	-1.265
H11	2.028	1.001	0.318
C12	1.960	0.035	-0.188

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7356	1.0085	2.4938	2.0468	3.7652	3.5559	3.3687	5.4594	4.6696	4.7626	4.5429
H2	1.7356		1.0063	3.1735	2.0867	2.9530	2.3336	2.6120	4.6981	4.2522	4.5848	4.0282
N3	1.0085	1.0063		2.2625	1.3652	2.8830	2.5555	2.4418	4.5655	3.9191	4.0848	3.7219
O4	2.4938	3.1735	2.2625		1.2233	2.9180	3.2517	2.4165	3.9086	3.0725	2.6225	2.8583
C5	2.0468	2.0867	1.3652	1.2233		2.1168	2.1620	1.5230	3.4806	2.8428	2.7445	2.5347
H6	3.7652	2.9530	2.8830	2.9180	2.1168		1.7572	1.0989	2.4803	3.0783	2.5315	2.1626
H7	3.5559	2.3336	2.5555	3.2517	2.1620	1.7572		1.0972	2.5293	2.5201	3.0780	2.1739
C8	3.3687	2.6120	2.4418	2.4165	1.5230	1.0989	1.0972		2.1668	2.1732	2.1625	1.5243
H9	5.4594	4.6981	4.5655	3.9086	3.4806	2.4803	2.5293	2.1668		1.7729	1.7782	1.0941
H10	4.6696	4.2522	3.9191	3.0725	2.8428	3.0783	2.5201	2.1732	1.7729		1.7644	1.0943
H11	4.7626	4.5848	4.0848	2.6225	2.7445	2.5315	3.0780	2.1625	1.7782	1.7644		1.0924
C12	4.5429	4.0282	3.7219	2.8583	2.5347	2.1626	2.1739	1.5243	1.0941	1.0943	1.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	118.950	H1	N3	C5	118.377
H2	N3	C5	122.542	N3	C5	O4	121.773
N3	C5	C8	115.327	O4	C5	C8	122.887
C5	C8	H6	106.558	C5	C8	H7	110.144
C5	C8	C12	112.566	H6	C8	H7	106.295
H6	C8	C12	109.999	H7	C8	C12	110.995
C8	C12	H9	110.614	C8	C12	H10	111.120
C8	C12	H11	110.380	H9	C12	H10	108.218
H9	C12	H11	108.829	H10	C12	H11	107.584

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: B3PW91/6-31+G**

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	0.328
2	H	0.307
3	N	-0.570
4	O	-0.507
5	C	0.326
6	H	0.192
7	H	0.152
8	C	-0.182
9	H	0.158
10	H	0.171
11	H	0.196
12	C	-0.571

	x	y	z	Total
	-0.722	-3.797	-0.067	3.866
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>	128.387
(<r²>)^1/2	11.331

All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)