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	hartrees
Energy at 0K	-286.091375
Energy at 298.15K	-286.101987
Nuclear repulsion energy	239.674968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3960	3606	49.34
2	A	3819	3477	51.97
3	A	3250	2960	67.88
4	A	3233	2944	59.58
5	A	3209	2922	22.24
6	A	3200	2914	11.56
7	A	3193	2908	17.57
8	A	3163	2880	32.13
9	A	3155	2873	27.92
10	A	1921	1749	411.86
11	A	1762	1604	125.98
12	A	1608	1465	6.63
13	A	1594	1452	6.08
14	A	1588	1446	1.26
15	A	1571	1430	7.50
16	A	1554	1415	68.20
17	A	1520	1384	6.49
18	A	1457	1327	52.08
19	A	1425	1298	4.19
20	A	1354	1233	107.93
21	A	1349	1229	1.09
22	A	1222	1113	1.24
23	A	1210	1102	1.35
24	A	1162	1058	5.77
25	A	1116	1017	2.82
26	A	991	903	2.58
27	A	951	866	1.60
28	A	910	828	1.03
29	A	802	730	6.08
30	A	674	614	9.29
31	A	659	600	22.11
32	A	539	490	5.41
33	A	462	421	2.59
34	A	365	333	4.00
35	A	262	238	0.18
36	A	205	187	222.94
37	A	193	176	10.47
38	A	105	96	0.87
39	A	25	23	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.729	-0.240	0.010
H2	-2.864	-0.707	0.988
H3	-3.533	0.484	-0.125
H4	-2.849	-1.015	-0.750
C5	-1.365	0.440	-0.096
H6	-1.269	0.928	-1.067
H7	-1.281	1.228	0.650
C8	-0.213	-0.543	0.085
H9	-0.260	-1.334	-0.667
H10	-0.286	-1.038	1.058
N11	2.201	-0.763	-0.085
H12	3.124	-0.395	-0.010
H13	2.072	-1.742	0.018
C14	1.158	0.106	0.018
O15	1.328	1.293	0.049

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0923	1.0903	1.0923	1.5277	2.1573	2.1591	2.5354	2.7841	2.7751	4.9587	5.8546	5.0303	3.9023	4.3374
H2	1.0923		1.7623	1.7647	2.1772	3.0725	2.5234	2.8059	3.1486	2.6001	5.1782	6.0786	5.1359	4.2170	4.7395
H3	1.0903	1.7623		1.7623	2.1683	2.4917	2.4954	3.4817	3.7830	3.7757	5.8682	6.7152	6.0323	4.7083	4.9311
H4	1.0923	1.7647	1.7623		2.1789	2.5242	3.0744	2.8054	2.6101	3.1364	5.1002	6.0502	5.0331	4.2313	4.8392
C5	1.5277	2.1772	2.1683	2.1789		1.0903	1.0885	1.5256	2.1668	2.1634	3.7637	4.5665	4.0728	2.5478	2.8290
H6	2.1573	3.0725	2.4917	2.5242	1.0903		1.7433	2.1458	2.5085	3.0564	3.9828	4.7073	4.4116	2.7823	2.8502
H7	2.1591	2.5234	2.4954	3.0744	1.0885	1.7433		2.1438	3.0562	2.5075	4.0775	4.7400	4.5233	2.7579	2.6782
C8	2.5354	2.8059	3.4817	2.8054	1.5256	2.1458	2.1438		1.0924	1.0939	2.4299	3.3410	2.5810	1.5182	2.3976
H9	2.7841	3.1486	3.7830	2.6101	2.1668	2.5085	3.0562	1.0924		1.7503	2.5928	3.5722	2.4640	2.1338	3.1524
H10	2.7751	2.6001	3.7757	3.1364	2.1634	3.0564	2.5075	1.0939	1.7503		2.7512	3.6306	2.6720	2.1157	3.0097
N11	4.9587	5.1782	5.8682	5.1002	3.7637	3.9828	4.0775	2.4299	2.5928	2.7512		0.9956	0.9935	1.3613	2.2375
H12	5.8546	6.0786	6.7152	6.0502	4.5665	4.7073	4.7400	3.3410	3.5722	3.6306	0.9956		1.7095	2.0286	2.4651
H13	5.0303	5.1359	6.0323	5.0331	4.0728	4.4116	4.5233	2.5810	2.4640	2.6720	0.9935	1.7095		2.0618	3.1254
C14	3.9023	4.2170	4.7083	4.2313	2.5478	2.7823	2.7579	1.5182	2.1338	2.1157	1.3613	2.0286	2.0618		1.1998
O15	4.3374	4.7395	4.9311	4.8392	2.8290	2.8502	2.6782	2.3976	3.1524	3.0097	2.2375	2.4651	3.1254	1.1998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.859	C1	C5	H7	110.103
C1	C5	C8	112.280	H2	C1	H3	107.696
H2	C1	H4	107.768	H2	C1	C5	111.320
H3	C1	H4	107.695	H3	C1	C5	110.730
H4	C1	C5	111.460	C5	C8	H9	110.630
C5	C8	H10	110.265	C5	C8	C14	113.654
H6	C5	H7	106.278	H6	C5	C8	109.094
H7	C5	C8	109.040	C8	C14	N11	114.991
C8	C14	O15	123.367	H9	C8	H10	106.373
H9	C8	C14	108.542	H10	C8	C14	107.059
N11	C14	O15	121.641	H12	N11	H13	118.500
H12	N11	C14	117.951	H13	N11	C14	121.436

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: HF/aug-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	0.481
2	H	-0.082
3	H	-0.058
4	H	-0.082
5	C	0.262
6	H	-0.177
7	H	-0.148
8	C	0.238
9	H	-0.104
10	H	-0.043
11	N	-0.169
12	H	-0.037
13	H	-0.053
14	C	0.715
15	O	-0.742

	x	y	z	Total
	-0.081	-3.771	0.248	3.780
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	217.714
(<r²>)^1/2	14.755

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)