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	hartrees
Energy at 0K	-287.624825
Energy at 298.15K	-287.635511
Nuclear repulsion energy	247.301488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3603	28.84
2	A	3633	3464	34.12
3	A	3168	3021	29.35
4	A	3165	3018	3.16
5	A	3154	3008	38.51
6	A	3151	3006	20.18
7	A	3067	2925	14.93
8	A	3065	2923	34.65
9	A	3053	2912	36.79
10	A	1745	1665	250.27
11	A	1675	1598	89.48
12	A	1554	1482	21.71
13	A	1538	1467	14.54
14	A	1534	1463	2.30
15	A	1524	1453	2.57
16	A	1457	1389	69.70
17	A	1431	1365	31.92
18	A	1431	1365	8.40
19	A	1354	1291	1.24
20	A	1324	1263	84.19
21	A	1224	1167	2.47
22	A	1150	1097	9.38
23	A	1147	1093	0.00
24	A	1094	1044	7.95
25	A	1003	956	0.06
26	A	957	912	6.24
27	A	941	897	3.96
28	A	790	754	63.28
29	A	774	739	3.49
30	A	639	609	155.34
31	A	619	590	5.00
32	A	536	512	131.18
33	A	479	457	2.97
34	A	330	314	0.67
35	A	288	275	5.11
36	A	236	225	0.70
37	A	232	221	8.03
38	A	219	209	0.47
39	A	20	19	9.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.352	-1.262	-0.025
H2	-0.862	-2.171	-0.387
H3	-1.369	-1.295	1.067
H4	-2.382	-1.255	-0.394
C5	-1.352	1.262	-0.026
H6	-0.862	2.171	-0.388
H7	-1.368	1.296	1.066
C8	-0.610	-0.000	-0.482
H9	-0.533	-0.000	-1.577
N10	1.827	-0.000	-0.754
H11	2.767	-0.000	-0.392
H12	1.689	-0.001	-1.749
C13	0.786	-0.000	0.125
O14	0.960	0.001	1.359
H15	-2.381	1.255	-0.395

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0938	1.0932	1.0936	2.5248	3.4870	2.7814	1.5337	2.1610	3.4971	4.3234	3.7163	2.4871	2.9760	2.7450
H2	1.0938		1.7714	1.7739	3.4870	4.3422	3.7931	2.1877	2.4973	3.4757	4.2290	3.6162	2.7734	3.3295	3.7481
H3	1.0932	1.7714		1.7785	2.7814	3.7931	2.5908	2.1568	3.0602	3.8993	4.5724	4.3537	2.6842	2.6805	3.1092
H4	1.0936	1.7739	1.7785		2.7450	3.7481	3.1093	2.1731	2.5280	4.4065	5.2992	4.4700	3.4462	3.9770	2.5107
C5	2.5248	3.4870	2.7814	2.7450		1.0938	1.0932	1.5337	2.1610	3.4971	4.3233	3.7163	2.4871	2.9758	1.0936
H6	3.4870	4.3422	3.7931	3.7481	1.0938		1.7714	2.1877	2.4973	3.4756	4.2288	3.6161	2.7734	3.3292	1.7739
H7	2.7814	3.7931	2.5908	3.1093	1.0932	1.7714		2.1568	3.0602	3.8992	4.5723	4.3536	2.6842	2.6803	1.7785
C8	1.5337	2.1877	2.1568	2.1731	1.5337	2.1877	2.1568		1.0977	2.4520	3.3778	2.6250	1.5217	2.4193	2.1731
H9	2.1610	2.4973	3.0602	2.5280	2.1610	2.4973	3.0602	1.0977		2.4994	3.5060	2.2288	2.1530	3.2937	2.5280
N10	3.4971	3.4757	3.8993	4.4065	3.4971	3.4756	3.8992	2.4520	2.4994		1.0069	1.0044	1.3628	2.2840	4.4065
H11	4.3234	4.2290	4.5724	5.2992	4.3233	4.2288	4.5723	3.3778	3.5060	1.0069		1.7326	2.0475	2.5162	5.2991
H12	3.7163	3.6162	4.3537	4.4700	3.7163	3.6161	4.3536	2.6250	2.2288	1.0044	1.7326		2.0803	3.1923	4.4700
C13	2.4871	2.7734	2.6842	3.4462	2.4871	2.7734	2.6842	1.5217	2.1530	1.3628	2.0475	2.0803		1.2462	3.4462
O14	2.9760	3.3295	2.6805	3.9770	2.9758	3.3292	2.6803	2.4193	3.2937	2.2840	2.5162	3.1923	1.2462		3.9768
H15	2.7450	3.7481	3.1092	2.5107	1.0936	1.7739	1.7785	2.1731	2.5280	4.4065	5.2991	4.4700	3.4462	3.9768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.789	C1	C8	H9	109.296
C1	C8	C13	108.974	H2	C1	H3	108.189
H2	C1	H4	108.384	H2	C1	C8	111.646
H3	C1	H4	108.837	H3	C1	C8	109.226
H4	C1	C8	110.488	C5	C8	H9	109.296
C5	C8	C13	108.975	H6	C5	H7	108.189
H6	C5	C8	111.646	H6	C5	H15	108.384
H7	C5	C8	109.226	H7	C5	H15	108.837
C8	C5	H15	110.489	C8	C13	N10	116.331
C8	C13	O14	121.545	H9	C8	C13	109.494
N10	C13	O14	122.124	H11	N10	H12	118.947
H11	N10	C13	118.780	H12	N10	C13	122.273

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

using model chemistry: B1B95/6-31G

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	-0.442
2	H	0.155
3	H	0.187
4	H	0.153
5	C	-0.442
6	H	0.155
7	H	0.187
8	C	-0.229
9	H	0.138
10	N	-0.759
11	H	0.347
12	H	0.338
13	C	0.542
14	O	-0.482
15	H	0.153

	x	y	z	Total
	0.263	-0.001	-3.858	3.867
CHELPG
AIM
ESP

	x	y	z
x	8.152	-0.000	-0.337
y	-0.000	6.133	0.001
z	-0.337	0.001	7.657

<r²>	172.592
(<r²>)^1/2	13.137

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

using model chemistry: B1B95/6-31G

States and conformations

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