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	hartrees
Energy at 0K	-286.562648
Energy at 298.15K	-286.570564
Nuclear repulsion energy	229.612933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3749	3600	35.23
2	A	3616	3472	35.11
3	A	3236	3107	12.16
4	A	3153	3027	13.03
5	A	3150	3024	5.68
6	A	3118	2994	11.82
7	A	3053	2931	14.87
8	A	1797	1726	291.60
9	A	1714	1646	37.03
10	A	1613	1548	122.07
11	A	1487	1428	22.35
12	A	1465	1407	10.59
13	A	1439	1381	18.83
14	A	1412	1356	20.32
15	A	1382	1327	63.03
16	A	1239	1190	45.11
17	A	1098	1054	1.53
18	A	1063	1021	0.53
19	A	1015	974	5.35
20	A	960	922	11.40
21	A	948	910	30.03
22	A	828	795	16.18
23	A	753	723	5.00
24	A	683	655	9.47
25	A	577	554	14.55
26	A	567	544	6.66
27	A	506	486	3.56
28	A	377	362	28.26
29	A	344	330	161.28
30	A	322	309	4.67
31	A	266	256	17.42
32	A	177	170	0.27
33	A	77	74	3.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.664	0.738	0.257
H2	-2.625	0.443	0.307
H3	-1.394	1.563	0.761
C4	1.664	-0.899	0.258
H5	1.529	-1.308	1.263
H6	1.472	-1.718	-0.436
H7	2.693	-0.559	0.152
C8	1.051	1.463	-0.269
H9	0.322	2.224	-0.521
H10	2.093	1.759	-0.286
C11	-0.743	-0.223	-0.040
O12	-1.055	-1.358	-0.341
C13	0.695	0.208	-0.001

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0059	1.0039	3.7084	3.9230	4.0428	4.5474	2.8595	2.5999	3.9316	1.3634	2.2626	2.4316
H2	1.0059		1.7244	4.4938	4.6079	4.6911	5.4138	3.8581	3.5413	4.9340	2.0261	2.4757	3.3423
H3	1.0039	1.7244		3.9573	4.1271	4.5175	4.6452	2.6554	2.2419	3.6464	2.0622	3.1396	2.6039
C4	3.7084	4.4938	3.9573		1.0929	1.0907	1.0891	2.4960	3.4864	2.7470	2.5175	2.8211	1.4934
H5	3.9230	4.6079	4.1271	1.0929		1.7488	1.7746	3.2016	4.1360	3.4818	2.8346	3.0411	2.1424
H6	4.0428	4.6911	4.5175	1.0907	1.7488		1.7828	3.2124	4.1064	3.5353	2.7015	2.5539	2.1214
H7	4.5474	5.4138	4.6452	1.0891	1.7746	1.7828		2.6385	3.7172	2.4347	3.4578	3.8632	2.1458
C8	2.8595	3.8581	2.6554	2.4960	3.2016	3.2124	2.6385		1.0833	1.0836	2.4724	3.5206	1.3318
H9	2.5999	3.5413	2.2419	3.4864	4.1360	4.1064	3.7172	1.0833		1.8459	2.7113	3.8411	2.1148
H10	3.9316	4.9340	3.6464	2.7470	3.4818	3.5353	2.4347	1.0836	1.8459		3.4690	4.4304	2.1081
C11	1.3634	2.0261	2.0622	2.5175	2.8346	2.7015	3.4578	2.4724	2.7113	3.4690		1.2149	1.5015
O12	2.2626	2.4757	3.1396	2.8211	3.0411	2.5539	3.8632	3.5206	3.8411	4.4304	1.2149		2.3720
C13	2.4316	3.3423	2.6039	1.4934	2.1424	2.1214	2.1458	1.3318	2.1148	2.1081	1.5015	2.3720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.594	C1	H11	H13	116.076
C2	C1	C3	118.192	C2	C1	H11	116.746
C3	C1	H11	120.416	C4	H13	H8	124.026
C4	H13	H11	114.409	O5	C4	N6	106.425
O5	C4	H7	108.841	O5	C4	H13	110.915
N6	C4	H7	109.743	N6	C4	H13	109.363
H7	C4	H13	111.424	H8	H13	H11	121.419
H9	H8	H10	116.828	H9	H8	H13	121.904
H10	H8	H13	121.219	H12	H11	H13	121.320

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B1B95/6-311G**

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	N	-0.472
2	H	0.238
3	H	0.234
4	C	-0.294
5	H	0.138
6	H	0.159
7	H	0.117
8	C	-0.179
9	H	0.118
10	H	0.121
11	C	0.383
12	O	-0.359
13	C	-0.202

	x	y	z	Total
	0.227	2.980	1.451	3.322
CHELPG
AIM
ESP

	x	y	z
x	8.731	0.315	-0.188
y	0.315	9.894	-0.211
z	-0.188	-0.211	5.091

<r²>	162.240
(<r²>)^1/2	12.737

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)