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	hartrees
Energy at 0K	-287.557305
Energy at 298.15K	-287.567681
HF Energy	-287.557305
Nuclear repulsion energy	238.951253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3784	3613	44.58
2	A	3637	3473	40.14
3	A	3141	2999	34.26
4	A	3139	2997	43.45
5	A	3116	2975	3.80
6	A	3090	2951	15.92
7	A	3069	2930	26.78
8	A	3051	2913	31.94
9	A	3044	2907	13.30
10	A	1803	1722	354.50
11	A	1630	1556	135.97
12	A	1509	1441	9.31
13	A	1503	1435	10.15
14	A	1495	1428	2.73
15	A	1466	1400	13.70
16	A	1430	1365	85.88
17	A	1419	1355	3.38
18	A	1368	1306	33.23
19	A	1321	1262	26.83
20	A	1272	1214	35.20
21	A	1251	1194	4.81
22	A	1143	1091	0.83
23	A	1123	1072	2.48
24	A	1085	1036	1.36
25	A	1066	1018	3.16
26	A	941	899	2.70
27	A	888	847	0.84
28	A	862	823	2.69
29	A	752	718	5.77
30	A	680	649	5.04
31	A	612	584	11.91
32	A	527	503	8.12
33	A	427	408	2.54
34	A	344	328	2.18
35	A	252	241	1.11
36	A	226	216	213.09
37	A	186	177	9.01
38	A	93	89	1.89
39	A	41	39	4.66

Atom	x (Å)	y (Å)	z (Å)
C1	2.701	-0.033	0.013
H2	2.888	-1.111	0.019
H3	3.420	0.438	-0.661
H4	2.873	0.352	1.022
C5	1.263	0.262	-0.432
H6	1.097	1.341	-0.449
H7	1.111	-0.122	-1.445
C8	0.234	-0.399	0.506
H9	0.390	-0.007	1.519
H10	0.396	-1.478	0.525
N11	-1.573	1.173	-0.014
H12	-2.553	1.200	-0.284
H13	-1.453	1.687	0.857
C14	-1.168	-0.156	0.078
O15	-1.917	-1.070	-0.250

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0937	1.0924	1.0936	1.5334	2.1621	2.1585	2.5421	2.7584	2.7684	4.4409	5.4051	4.5747	3.8707	4.7403
H2	1.0937		1.7728	1.7735	2.1743	3.0722	2.5052	2.7907	3.1160	2.5697	5.0118	5.9194	5.2323	4.1668	4.8130
H3	1.0924	1.7728		1.7718	2.1759	2.5017	2.5014	3.4947	3.7592	3.7715	5.0882	6.0336	5.2550	4.6844	5.5612
H4	1.0936	1.7735	1.7718		2.1710	2.5096	3.0682	2.7919	2.5577	3.1199	4.6389	5.6457	4.5310	4.1804	5.1565
C5	1.5334	2.1743	2.1759	2.1710		1.0918	1.0942	1.5416	2.1542	2.1673	3.0081	3.9330	3.3273	2.5187	3.4531
H6	2.1621	3.0722	2.5017	2.5096	1.0918		1.7703	2.1643	2.4877	3.0640	2.7102	3.6566	2.8859	2.7651	3.8649
H7	2.1585	2.5052	2.5014	3.0682	1.0942	1.7703		2.1572	3.0526	2.4963	3.3060	4.0651	3.8922	2.7412	3.3908
C8	2.5421	2.7907	3.4947	2.7919	1.5416	2.1643	2.1572		1.0972	1.0914	2.4512	3.3092	2.7057	1.4854	2.3772
H9	2.7584	3.1160	3.7592	2.5577	2.1542	2.4877	3.0526	1.0972		1.7757	2.7564	3.6567	2.5893	2.1270	3.0960
H10	2.7684	2.5697	3.7715	3.1199	2.1673	3.0640	2.4963	1.0914	1.7757		3.3461	4.0649	3.6804	2.0955	2.4733
N11	4.4409	5.0118	5.0882	4.6389	3.0081	2.7102	3.3060	2.4512	2.7564	3.3461		1.0171	1.0187	1.3926	2.2816
H12	5.4051	5.9194	6.0336	5.6457	3.9330	3.6566	4.0651	3.3092	3.6567	4.0649	1.0171		1.6581	1.9724	2.3577
H13	4.5747	5.2323	5.2550	4.5310	3.3273	2.8859	3.8922	2.7057	2.5893	3.6804	1.0187	1.6581		2.0208	3.0069
C14	3.8707	4.1668	4.6844	4.1804	2.5187	2.7651	2.7412	1.4854	2.1270	2.0955	1.3926	1.9724	2.0208		1.2271
O15	4.7403	4.8130	5.5612	5.1565	3.4531	3.8649	3.3908	2.3772	3.0960	2.4733	2.2816	2.3577	3.0069	1.2271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.746	C1	C5	H7	109.330
C1	C5	C8	111.519	H2	C1	H3	108.373
H2	C1	H4	108.349	H2	C1	C5	110.601
H3	C1	H4	108.290	H3	C1	C5	110.802
H4	C1	C5	110.343	C5	C8	H9	108.266
C5	C8	H10	109.616	C5	C8	C14	112.608
H6	C5	H7	108.156	H6	C5	C8	109.355
H7	C5	C8	108.664	C8	C14	N11	116.751
C8	C14	O15	122.126	H9	C8	H10	108.450
H9	C8	C14	109.980	H10	C8	C14	107.846
N11	C14	O15	121.006	H12	N11	H13	109.072
H12	N11	C14	108.877	H13	N11	C14	112.952

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.613
2	H	0.163
3	H	0.170
4	H	0.160
5	C	-0.203
6	H	0.169
7	H	0.200
8	C	-0.330
9	H	0.151
10	H	0.196
11	N	-0.585
12	H	0.334
13	H	0.308
14	C	0.395
15	O	-0.516

	x	y	z	Total
	0.057	-3.757	-0.192	3.762
CHELPG
AIM
ESP

	x	y	z
x	10.233	-0.298	-0.215
y	-0.298	8.997	0.020
z	-0.215	0.020	7.050

<r²>	216.838
(<r²>)^1/2	14.725

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)