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	hartrees
Energy at 0K	-287.722291
Energy at 298.15K	-287.732334
Nuclear repulsion energy	248.418309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3609	37.27
2	A	3602	3462	35.21
3	A	3155	3032	16.90
4	A	3149	3027	9.37
5	A	3143	3021	27.15
6	A	3138	3017	22.79
7	A	3057	2938	19.15
8	A	3053	2934	28.55
9	A	3042	2924	38.24
10	A	1820	1749	267.82
11	A	1587	1526	140.67
12	A	1483	1426	20.57
13	A	1466	1409	10.11
14	A	1457	1400	1.59
15	A	1448	1392	0.57
16	A	1412	1357	58.47
17	A	1383	1329	5.83
18	A	1369	1316	6.48
19	A	1321	1269	3.11
20	A	1270	1221	62.90
21	A	1185	1139	1.87
22	A	1137	1093	0.13
23	A	1121	1077	4.49
24	A	1052	1011	5.59
25	A	973	936	0.34
26	A	930	894	3.25
27	A	920	885	2.03
28	A	777	747	3.85
29	A	765	735	4.30
30	A	610	587	5.98
31	A	600	576	10.43
32	A	468	450	3.11
33	A	318	306	0.60
34	A	285	274	4.76
35	A	248	238	2.49
36	A	233	224	3.42
37	A	214	205	0.31
38	A	74	71	173.37
39	A	18	17	3.98

Atom	x (Å)	y (Å)	z (Å)
C1	-1.426	-1.097	-0.465
H2	-1.011	-1.822	-1.180
H3	-1.406	-1.558	0.532
H4	-2.469	-0.896	-0.745
C5	-1.259	1.235	0.472
H6	-0.691	2.176	0.477
H7	-1.295	0.856	1.503
C8	-0.613	0.191	-0.437
H9	-0.535	0.602	-1.457
N10	1.814	0.369	-0.648
H11	2.758	0.217	-0.320
H12	1.665	0.873	-1.508
C13	0.783	-0.111	0.097
O14	0.957	-0.725	1.135
H15	-2.285	1.456	0.145

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0991	1.0984	1.0988	2.5189	3.4845	2.7753	1.5235	2.1591	3.5610	4.3881	3.8108	2.4832	2.8943	2.7615
H2	1.0991		1.7758	1.7808	3.4836	4.3396	3.8006	2.1824	2.4850	3.6147	4.3711	3.8120	2.7882	3.2303	3.7575
H3	1.0984	1.7758		1.7887	2.7976	3.8024	2.6040	2.1507	3.0620	3.9334	4.6059	4.4157	2.6593	2.5768	3.1630
H4	1.0988	1.7808	1.7887		2.7366	3.7544	3.0824	2.1733	2.5475	4.4674	5.3617	4.5613	3.4499	3.9120	2.5215
C5	2.5189	3.4836	2.7976	2.7366		1.0993	1.0989	1.5276	2.1562	3.3837	4.2193	3.5505	2.4748	3.0320	1.0990
H6	3.4845	4.3396	3.8024	3.7544	1.0993		1.7780	2.1867	2.4994	3.2875	4.0461	3.3458	2.7480	3.4012	1.7803
H7	2.7753	3.8006	2.6040	3.0824	1.0989	1.7780		2.1607	3.0667	3.8116	4.4897	4.2225	2.6889	2.7758	1.7842
C8	1.5235	2.1824	2.1507	2.1733	1.5276	2.1867	2.1607		1.1027	2.4428	3.3733	2.6082	1.5248	2.4031	2.1755
H9	2.1591	2.4850	3.0620	2.5475	2.1562	2.4994	3.0667	1.1027		2.4959	3.5056	2.2179	2.1590	3.2722	2.5217
N10	3.5610	3.6147	3.9334	4.4674	3.3837	3.2875	3.8116	2.4428	2.4959		1.0109	1.0078	1.3596	2.2606	4.3141
H11	4.3881	4.3711	4.6059	5.3617	4.2193	4.0461	4.4897	3.3733	3.5056	1.0109		1.7423	2.0453	2.4998	5.2137
H12	3.8108	3.8120	4.4157	4.5613	3.5505	3.3458	4.2225	2.6082	2.2179	1.0078	1.7423		2.0790	3.1686	4.3218
C13	2.4832	2.7882	2.6593	3.4499	2.4748	2.7480	2.6889	1.5248	2.1590	1.3596	2.0453	2.0790		1.2186	3.4453
O14	2.8943	3.2303	2.5768	3.9120	3.0320	3.4012	2.7758	2.4031	3.2722	2.2606	2.4998	3.1686	1.2186		4.0306
H15	2.7615	3.7575	3.1630	2.5215	1.0990	1.7803	1.7842	2.1755	2.5217	4.3141	5.2137	4.3218	3.4453	4.0306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.295	C1	C8	H9	109.563
C1	C8	C13	109.100	H2	C1	H3	107.830
H2	C1	H4	108.236	H2	C1	C8	111.620
H3	C1	H4	108.997	H3	C1	C8	109.160
H4	C1	C8	110.913	C5	C8	H9	109.050
C5	C8	C13	108.341	H6	C5	H7	107.969
H6	C5	C8	111.663	H6	C5	H15	108.165
H7	C5	C8	109.621	H7	C5	H15	108.545
C8	C5	H15	110.780	C8	C13	N10	115.632
C8	C13	O14	121.926	H9	C8	C13	109.463
N10	C13	O14	122.431	H11	N10	H12	119.330
H11	N10	C13	118.525	H12	N10	C13	122.144

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

using model chemistry: B1B95/cc-pVDZ

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	0.011
2	H	0.028
3	H	0.050
4	H	0.021
5	C	0.009
6	H	0.026
7	H	0.047
8	C	-0.189
9	H	-0.009
10	N	-0.099
11	H	0.107
12	H	0.100
13	C	0.144
14	O	-0.273
15	H	0.028

	x	y	z	Total
	0.426	1.864	-2.960	3.524
CHELPG
AIM
ESP

	x	y	z
x	8.854	0.228	-0.298
y	0.228	7.329	-0.503
z	-0.298	-0.503	7.510

<r²>	171.220
(<r²>)^1/2	13.085

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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