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	hartrees
Energy at 0K	-287.515008
Energy at 298.15K
HF Energy	-287.230116
Nuclear repulsion energy	247.490431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3565	34.36
2	A	3621	3437	40.11
3	A	3177	3016	28.97
4	A	3173	3012	3.06
5	A	3155	2995	40.43
6	A	3153	2992	18.38
7	A	3085	2928	13.55
8	A	3082	2925	32.09
9	A	3062	2906	35.82
10	A	1797	1705	243.61
11	A	1655	1571	107.71
12	A	1564	1485	12.51
13	A	1551	1472	9.90
14	A	1543	1465	1.50
15	A	1536	1458	0.53
16	A	1461	1387	27.49
17	A	1445	1371	35.71
18	A	1439	1366	3.45
19	A	1371	1301	1.85
20	A	1310	1243	106.61
21	A	1227	1165	4.16
22	A	1155	1096	6.11
23	A	1149	1091	0.02
24	A	1077	1022	5.49
25	A	998	948	0.22
26	A	954	906	2.04
27	A	937	890	2.79
28	A	778	738	6.40
29	A	770	731	3.05
30	A	619	587	5.99
31	A	607	576	14.78
32	A	480	456	3.57
33	A	330	313	0.87
34	A	295	280	5.02
35	A	250	237	5.52
36	A	247	235	0.04
37	A	220	208	0.24
38	A	30	29	11.71
39	A	103i	98i	230.59

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-1.265	-0.025
H2	-0.840	-2.170	-0.365
H3	-1.408	-1.295	1.066
H4	-2.370	-1.277	-0.428
C5	-1.353	1.265	-0.025
H6	-0.840	2.170	-0.365
H7	-1.408	1.295	1.066
C8	-0.613	0.000	-0.473
H9	-0.543	0.000	-1.568
N10	1.822	0.000	-0.760
H11	2.767	0.000	-0.404
H12	1.679	0.000	-1.757
C13	0.790	-0.000	0.139
O14	0.969	-0.000	1.350
H15	-2.370	1.277	-0.428

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0942	1.0924	1.0941	2.5307	3.4897	2.7837	1.5333	2.1543	3.4965	4.3272	3.7146	2.4946	2.9809	2.7677
H2	1.0942		1.7707	1.7726	3.4897	4.3392	3.7915	2.1841	2.4985	3.4569	4.2097	3.6042	2.7604	3.3051	3.7715
H3	1.0924	1.7707		1.7777	2.7837	3.7915	2.5904	2.1628	3.0602	3.9297	4.6117	4.3788	2.7141	2.7216	3.1267
H4	1.0941	1.7726	1.7777		2.7677	3.7715	3.1266	2.1731	2.5041	4.3950	5.2938	4.4490	3.4556	3.9931	2.5540
C5	2.5307	3.4897	2.7837	2.7677		1.0942	1.0924	1.5333	2.1543	3.4965	4.3271	3.7145	2.4946	2.9808	1.0941
H6	3.4897	4.3392	3.7915	3.7715	1.0942		1.7707	2.1842	2.4985	3.4568	4.2095	3.6041	2.7603	3.3050	1.7726
H7	2.7837	3.7915	2.5904	3.1266	1.0924	1.7707		2.1628	3.0602	3.9296	4.6116	4.3788	2.7141	2.7216	1.7777
C8	1.5333	2.1841	2.1628	2.1731	1.5333	2.1842	2.1628		1.0976	2.4514	3.3803	2.6268	1.5304	2.4135	2.1731
H9	2.1543	2.4985	3.0602	2.5041	2.1543	2.4985	3.0602	1.0976		2.4989	3.5083	2.2296	2.1660	3.2865	2.5041
N10	3.4965	3.4569	3.9297	4.3950	3.4965	3.4568	3.9296	2.4514	2.4989		1.0098	1.0071	1.3687	2.2758	4.3950
H11	4.3272	4.2097	4.6117	5.2938	4.3271	4.2095	4.6116	3.3803	3.5083	1.0098		1.7358	2.0503	2.5120	5.2937
H12	3.7146	3.6042	4.3788	4.4490	3.7145	3.6041	4.3788	2.6268	2.2296	1.0071	1.7358		2.0942	3.1869	4.4489
C13	2.4946	2.7604	2.7141	3.4556	2.4946	2.7603	2.7141	1.5304	2.1660	1.3687	2.0503	2.0942		1.2239	3.4556
O14	2.9809	3.3051	2.7216	3.9931	2.9808	3.3050	2.7216	2.4135	3.2865	2.2758	2.5120	3.1869	1.2239		3.9931
H15	2.7677	3.7715	3.1267	2.5540	1.0941	1.7726	1.7777	2.1731	2.5041	4.3950	5.2937	4.4489	3.4556	3.9931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.228	C1	C8	H9	108.817
C1	C8	C13	109.025	H2	C1	H3	108.150
H2	C1	H4	108.200	H2	C1	C8	111.363
H3	C1	H4	108.784	H3	C1	C8	109.778
H4	C1	C8	110.492	C5	C8	H9	108.816
C5	C8	C13	109.024	H6	C5	H7	108.150
H6	C5	C8	111.363	H6	C5	H15	108.200
H7	C5	C8	109.777	H7	C5	H15	108.784
C8	C5	H15	110.492	C8	C13	N10	115.352
C8	C13	O14	121.989	H9	C8	C13	109.921
N10	C13	O14	122.659	H11	N10	H12	118.781
H11	N10	C13	118.309	H12	N10	C13	122.910

All results from a given calculation for C₄H₉NO (Propanamide, 2-methyl-)

using model chemistry: B2PLYP/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	C	-0.463
2	H	0.155
3	H	0.186
4	H	0.153
5	C	-0.463
6	H	0.155
7	H	0.186
8	C	-0.197
9	H	0.133
10	N	-0.827
11	H	0.365
12	H	0.359
13	C	0.675
14	O	-0.568
15	H	0.153

	x	y	z
x	8.305	0.000	-0.315
y	0.000	6.300	0.000
z	-0.315	0.000	7.638

<r²>	172.782
(<r²>)^1/2	13.145

All results from a given calculation for C4H9NO (Propanamide, 2-methyl-)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₉NO (Propanamide, 2-methyl-)