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	hartrees
Energy at 0K	-286.322977
Energy at 298.15K	-286.333291
Nuclear repulsion energy	240.057404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3596	38.18
2	A	3518	3453	30.93
3	A	3076	3019	20.32
4	A	3061	3003	31.51
5	A	3037	2980	0.94
6	A	3004	2948	13.46
7	A	2993	2937	21.31
8	A	2978	2922	18.84
9	A	2957	2902	11.31
10	A	1803	1769	234.45
11	A	1549	1520	179.33
12	A	1453	1426	9.15
13	A	1442	1415	10.11
14	A	1436	1409	3.97
15	A	1404	1378	19.32
16	A	1393	1367	58.68
17	A	1364	1339	2.75
18	A	1324	1299	13.82
19	A	1268	1244	21.78
20	A	1213	1191	4.99
21	A	1194	1172	0.77
22	A	1121	1100	1.77
23	A	1081	1061	3.19
24	A	1072	1052	1.50
25	A	1038	1019	2.14
26	A	924	907	3.49
27	A	858	842	1.83
28	A	835	819	4.87
29	A	731	717	9.86
30	A	666	653	7.38
31	A	600	588	10.58
32	A	510	500	8.60
33	A	414	406	2.39
34	A	342	336	2.99
35	A	251	247	0.43
36	A	235	231	207.93
37	A	186	182	8.23
38	A	97	95	1.58
39	A	64	62	2.88

Atom	x (Å)	y (Å)	z (Å)
C1	-2.694	-0.180	0.067
H2	-2.801	-0.311	1.158
H3	-3.492	0.504	-0.265
H4	-2.885	-1.163	-0.398
C5	-1.324	0.345	-0.285
H6	-1.240	0.508	-1.376
H7	-1.134	1.333	0.172
C8	-0.212	-0.569	0.167
H9	-0.226	-1.532	-0.379
H10	-0.360	-0.826	1.236
N11	2.189	-0.737	-0.109
H12	3.120	-0.329	-0.148
H13	2.077	-1.745	-0.174
C14	1.136	0.102	0.051
O15	1.273	1.316	0.117

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1045	1.1019	1.1044	1.5086	2.1603	2.1757	2.5146	2.8495	2.6892	4.9175	5.8195	5.0266	3.8396	4.2394
H2	1.1045		1.7794	1.7766	2.1669	3.0867	2.5408	2.7843	3.2383	2.4957	5.1655	6.0630	5.2558	4.1100	4.5083
H3	1.1019	1.7794		1.7782	2.1740	2.5113	2.5381	3.4785	3.8506	3.7191	5.8171	6.6653	6.0065	4.6559	4.8487
H4	1.1044	1.7766	1.7782		2.1737	2.5401	3.1021	2.7968	2.6854	3.0271	5.1003	6.0682	5.0014	4.2389	4.8683
C5	1.5086	2.1669	2.1740	2.1737		1.1057	1.1049	1.5097	2.1772	2.1488	3.6802	4.4969	3.9935	2.4943	2.8013
H6	2.1603	3.0867	2.5113	2.5401	1.1057		1.7572	2.1446	2.4866	3.0622	3.8619	4.6063	4.1857	2.8006	3.0325
H7	2.1757	2.5408	2.5381	3.1021	1.1049	1.7572		2.1141	3.0558	2.5288	3.9248	4.5778	4.4611	2.5847	2.4069
C8	2.5146	2.7843	3.4785	2.7968	1.5097	2.1446	2.1141		1.1073	1.1093	2.4221	3.3550	2.5953	1.5095	2.4002
H9	2.8495	3.2383	3.8506	2.6854	2.1772	2.4866	3.0558	1.1073		1.7681	2.5563	3.5630	2.3214	2.1694	3.2564
H10	2.6892	2.4957	3.7191	3.0271	2.1488	3.0622	2.5288	1.1093	1.7681		2.8833	3.7780	2.9618	2.1222	2.9171
N11	4.9175	5.1655	5.8171	5.1003	3.6802	3.8619	3.9248	2.4221	2.5563	2.8833		1.0176	1.0158	1.3560	2.2601
H12	5.8195	6.0630	6.6653	6.0682	4.4969	4.6063	4.5778	3.3550	3.5630	3.7780	1.0176		1.7591	2.0401	2.4876
H13	5.0266	5.2558	6.0065	5.0014	3.9935	4.1857	4.4611	2.5953	2.3214	2.9618	1.0158	1.7591		2.0847	3.1784
C14	3.8396	4.1100	4.6559	4.2389	2.4943	2.8006	2.5847	1.5095	2.1694	2.1222	1.3560	2.0401	2.0847		1.2242
O15	4.2394	4.5083	4.8487	4.8683	2.8013	3.0325	2.4069	2.4002	3.2564	2.9171	2.2601	2.4876	3.1784	1.2242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.501	C1	C5	H7	111.779
C1	C5	C8	112.838	H2	C1	H3	107.507
H2	C1	H4	107.085	H2	C1	C5	111.103
H3	C1	H4	107.413	H3	C1	C5	111.833
H4	C1	C5	111.655	C5	C8	H9	111.679
C5	C8	H10	109.311	C5	C8	C14	111.414
H6	C5	H7	105.294	H6	C5	C8	109.195
H7	C5	C8	106.892	C8	C14	N11	115.299
C8	C14	O15	122.462	H9	C8	H10	105.818
H9	C8	C14	111.072	H10	C8	C14	107.281
N11	C14	O15	122.229	H12	N11	H13	119.784
H12	N11	C14	117.822	H13	N11	C14	122.387

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: LSDA/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	-0.433
2	H	0.136
3	H	0.141
4	H	0.133
5	C	-0.241
6	H	0.138
7	H	0.164
8	C	-0.329
9	H	0.123
10	H	0.162
11	N	-0.621
12	H	0.296
13	H	0.286
14	C	0.489
15	O	-0.445

	x	y	z	Total
	0.610	-3.465	-0.202	3.524
CHELPG
AIM
ESP

	x	y	z
x	9.692	-0.429	-0.179
y	-0.429	8.172	0.097
z	-0.179	0.097	5.944

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)