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	hartrees
Energy at 0K	-284.929551
Energy at 298.15K	-284.937638
Nuclear repulsion energy	228.131109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3695	3551	33.35
2	A	3562	3424	31.49
3	A	3244	3118	11.19
4	A	3163	3041	5.13
5	A	3161	3038	7.33
6	A	3124	3003	9.27
7	A	3059	2941	11.19
8	A	1744	1677	144.52
9	A	1712	1646	80.76
10	A	1662	1598	75.54
11	A	1550	1490	22.26
12	A	1529	1470	14.14
13	A	1489	1431	8.89
14	A	1448	1391	24.33
15	A	1379	1326	103.24
16	A	1262	1213	52.95
17	A	1109	1066	2.35
18	A	1102	1060	4.08
19	A	1054	1013	4.85
20	A	970	932	41.69
21	A	954	917	14.43
22	A	845	813	43.79
23	A	736	707	5.37
24	A	694	667	51.08
25	A	606	582	55.30
26	A	575	553	3.57
27	A	529	508	120.90
28	A	507	487	75.02
29	A	380	365	3.99
30	A	326	313	7.62
31	A	274	263	11.99
32	A	143	138	0.40
33	A	80	77	6.77

Atom	x (Å)	y (Å)	z (Å)
N1	-1.657	0.760	0.261
H2	-2.642	0.526	0.215
H3	-1.380	1.652	0.646
C4	1.647	-0.928	0.243
H5	1.561	-1.286	1.278
H6	1.363	-1.760	-0.410
H7	2.683	-0.636	0.052
C8	1.082	1.467	-0.254
H9	0.373	2.251	-0.505
H10	2.132	1.745	-0.261
C11	-0.747	-0.214	-0.037
O12	-1.071	-1.380	-0.319
C13	0.697	0.214	0.000

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0132	1.0106	3.7101	3.9468	3.9900	4.5639	2.8752	2.6325	3.9497	1.3659	2.2932	2.4305
H2	1.0132		1.7452	4.5284	4.6988	4.6533	5.4526	3.8693	3.5470	4.9500	2.0497	2.5268	3.3602
H3	1.0106	1.7452		3.9980	4.2055	4.5039	4.7012	2.6280	2.1808	3.6289	2.0861	3.1972	2.6080
C4	3.7101	4.5284	3.9980		1.0982	1.0953	1.0934	2.5107	3.5056	2.7633	2.5137	2.8119	1.5048
H5	3.9468	4.6988	4.2055	1.0982		1.7641	1.7841	3.1868	4.1353	3.4471	2.8646	3.0800	2.1511
H6	3.9900	4.6533	4.5039	1.0953	1.7641		1.7946	3.2437	4.1330	3.5920	2.6420	2.4650	2.1232
H7	4.5639	5.4526	4.7012	1.0934	1.7841	1.7946		2.6612	3.7395	2.4642	3.4572	3.8451	2.1609
C8	2.8752	3.8693	2.6280	2.5107	3.1868	3.2437	2.6612		1.0864	1.0863	2.4940	3.5704	1.3359
H9	2.6325	3.5470	2.1808	3.5056	4.1353	4.1330	3.7395	1.0864		1.8467	2.7480	3.9123	2.1241
H10	3.9497	4.9500	3.6289	2.7633	3.4471	3.5920	2.4642	1.0863	1.8467		3.4899	4.4756	2.1151
C11	1.3659	2.0497	2.0861	2.5137	2.8646	2.6420	3.4572	2.4940	2.7480	3.4899		1.2423	1.5066
O12	2.2932	2.5268	3.1972	2.8119	3.0800	2.4650	3.8451	3.5704	3.9123	4.4756	1.2423		2.4017
C13	2.4305	3.3602	2.6080	1.5048	2.1511	2.1232	2.1609	1.3359	2.1241	2.1151	1.5066	2.4017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	123.023	C1	H11	H13	115.499
C2	C1	C3	119.162	C2	C1	H11	118.221
C3	C1	H11	122.043	C4	H13	H8	124.112
C4	H13	H11	113.174	O5	C4	N6	107.074
O5	C4	H7	108.993	O5	C4	H13	110.490
N6	C4	H7	110.155	N6	C4	H13	108.465
H7	C4	H13	111.563	H8	H13	H11	122.548
H9	H8	H10	116.417	H9	H8	H13	122.207
H10	H8	H13	121.325	H12	H11	H13	121.477

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: B3PW91/3-21G

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	-0.798
2	H	0.337
3	H	0.334
4	C	-0.643
5	H	0.232
6	H	0.258
7	H	0.212
8	C	-0.421
9	H	0.201
10	H	0.218
11	C	0.654
12	O	-0.511
13	C	-0.074

	x	y	z	Total
	0.032	3.210	1.146	3.408
CHELPG
AIM
ESP

<r²>	163.429
(<r²>)^1/2	12.784

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)