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	hartrees
Energy at 0K	-286.368473
Energy at 298.15K	-286.376184
Nuclear repulsion energy	227.883621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3606	27.10
2	A	3499	3475	21.63
3	A	3150	3129	10.85
4	A	3068	3047	7.77
5	A	3064	3043	11.02
6	A	3027	3006	8.45
7	A	2970	2950	13.74
8	A	1697	1685	240.50
9	A	1642	1631	38.78
10	A	1550	1539	94.79
11	A	1439	1430	19.79
12	A	1415	1405	10.09
13	A	1394	1384	11.28
14	A	1355	1346	8.10
15	A	1333	1324	71.89
16	A	1199	1191	41.37
17	A	1054	1047	2.10
18	A	1030	1023	0.51
19	A	984	977	5.31
20	A	931	924	4.45
21	A	909	903	34.16
22	A	794	789	8.98
23	A	726	721	4.83
24	A	657	653	5.98
25	A	562	558	12.06
26	A	549	545	3.45
27	A	490	487	2.90
28	A	365	363	9.88
29	A	330	328	151.78
30	A	310	308	4.17
31	A	257	255	14.17
32	A	160	159	0.25
33	A	69	68	4.28

Atom	x (Å)	y (Å)	z (Å)
N1	-1.667	0.755	0.274
H2	-2.637	0.463	0.333
H3	-1.385	1.582	0.784
C4	1.666	-0.912	0.274
H5	1.513	-1.325	1.283
H6	1.488	-1.741	-0.425
H7	2.704	-0.571	0.185
C8	1.077	1.457	-0.286
H9	0.356	2.232	-0.549
H10	2.131	1.739	-0.305
C11	-0.749	-0.217	-0.040
O12	-1.082	-1.356	-0.362
C13	0.700	0.201	-0.003

	N1	H2	H3	C4	H5	H6	H7	C8	H9	H10	C11	O12	C13
N1		1.0139	1.0120	3.7265	3.9316	4.0827	4.5690	2.8873	2.6371	3.9661	1.3730	2.2804	2.4465
H2	1.0139		1.7381	4.5173	4.6175	4.7373	5.4422	3.8936	3.5864	4.9763	2.0408	2.4916	3.3635
H3	1.0120	1.7381		3.9736	4.1354	4.5558	4.6603	2.6869	2.2868	3.6838	2.0784	3.1680	2.6216
C4	3.7265	4.5173	3.9736		1.1008	1.0988	1.0967	2.5049	3.5043	2.7534	2.5327	2.8557	1.4997
H5	3.9316	4.6175	4.1354	1.1008		1.7582	1.7868	3.2238	4.1653	3.5060	2.8458	3.0736	2.1550
H6	4.0827	4.7373	4.5558	1.0988	1.7582		1.7946	3.2275	4.1330	3.5412	2.7338	2.5995	2.1377
H7	4.5690	5.4422	4.6603	1.0967	1.7868	1.7946		2.6430	3.7300	2.4304	3.4789	3.9058	2.1564
C8	2.8873	3.8936	2.6869	2.5049	3.2238	3.2275	2.6430		1.0906	1.0913	2.4892	3.5470	1.3418
H9	2.6371	3.5864	2.2868	3.5043	4.1653	4.1330	3.7300	1.0906		1.8583	2.7344	3.8700	2.1313
H10	3.9661	4.9763	3.6838	2.7534	3.5060	3.5412	2.4304	1.0913	1.8583		3.4914	4.4618	2.1226
C11	1.3730	2.0408	2.0784	2.5327	2.8458	2.7338	3.4789	2.4892	2.7344	3.4914		1.2297	1.5083
O12	2.2804	2.4916	3.1680	2.8557	3.0736	2.5995	3.9058	3.5470	3.8700	4.4618	1.2297		2.3935
C13	2.4465	3.3635	2.6216	1.4997	2.1550	2.1377	2.1564	1.3418	2.1313	2.1226	1.5083	2.3935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	H11	H12	122.267	C1	H11	H13	116.151
C2	C1	C3	118.172	C2	C1	H11	116.716
C3	C1	H11	120.496	C4	H13	H8	123.564
C4	H13	H11	114.699	O5	C4	N6	106.132
O5	C4	H7	108.808	O5	C4	H13	111.001
N6	C4	H7	109.653	N6	C4	H13	109.741
H7	C4	H13	111.363	H8	H13	H11	121.595
H9	H8	H10	116.784	H9	H8	H13	122.037
H10	H8	H13	121.127	H12	H11	H13	121.565

All results from a given calculation for C₄H₇NO (Methacrylamide)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.190
2	H	0.146
3	H	0.150
4	C	-0.269
5	H	0.101
6	H	0.121
7	H	0.087
8	C	-0.265
9	H	0.099
10	H	0.103
11	C	0.184
12	O	-0.302
13	C	0.035

	x	y	z	Total
	0.239	2.877	1.455	3.233
CHELPG
AIM
ESP

	x	y	z
x	10.016	0.260	-0.231
y	0.260	10.763	-0.172
z	-0.231	-0.172	5.957

<r²>	164.583
(<r²>)^1/2	12.829

All results from a given calculation for C4H7NO (Methacrylamide)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Methacrylamide)