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	hartrees
Energy at 0K	-52.604392
Energy at 298.15K	-52.614986
Nuclear repulsion energy	134.049287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3956	3574	36.58
2	A	3817	3448	42.71
3	A	3275	2959	69.97
4	A	3246	2933	79.08
5	A	3230	2918	60.05
6	A	3228	2916	4.68
7	A	3194	2886	32.05
8	A	3191	2883	30.29
9	A	3172	2865	44.50
10	A	1917	1732	434.85
11	A	1787	1615	112.09
12	A	1641	1482	5.80
13	A	1629	1472	5.99
14	A	1624	1467	1.96
15	A	1610	1455	8.69
16	A	1563	1412	44.04
17	A	1545	1395	18.21
18	A	1473	1331	44.81
19	A	1431	1293	20.69
20	A	1375	1242	96.85
21	A	1358	1227	22.09
22	A	1237	1118	3.20
23	A	1209	1092	2.20
24	A	1154	1042	12.46
25	A	1112	1004	1.64
26	A	981	887	2.12
27	A	949	857	1.97
28	A	921	832	0.71
29	A	799	722	4.97
30	A	732	661	19.35
31	A	627	567	12.82
32	A	559	505	23.23
33	A	454	410	3.67
34	A	358	324	2.28
35	A	256	231	0.15
36	A	219	198	280.93
37	A	198	179	13.18
38	A	99	89	2.87
39	A	24	22	2.50

Atom	x (Å)	y (Å)	z (Å)
C1	-2.715	-0.199	0.010
H2	-2.894	-0.226	1.083
H3	-3.495	0.410	-0.441
H4	-2.827	-1.213	-0.370
C5	-1.325	0.371	-0.308
H6	-1.186	0.418	-1.386
H7	-1.242	1.388	0.060
C8	-0.200	-0.473	0.312
H9	-0.237	-1.495	-0.061
H10	-0.329	-0.528	1.392
N11	2.196	-0.770	-0.123
H12	3.091	-0.402	-0.365
H13	2.008	-1.719	-0.350
C14	1.184	0.130	0.076
O15	1.391	1.317	0.115

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0883	1.0872	1.0886	1.5357	2.1602	2.1654	2.5477	2.7966	2.7768	4.9460	5.8218	4.9743	3.9136	4.3785
H2	1.0883		1.7564	1.7584	2.1800	3.0705	2.5253	2.8131	3.1587	2.6012	5.2595	6.1606	5.3211	4.2158	4.6562
H3	1.0872	1.7564		1.7565	2.1743	2.4946	2.5056	3.4929	3.7923	3.7760	5.8206	6.6362	5.9007	4.7157	5.0004
H4	1.0886	1.7584	1.7565		2.1842	2.5269	3.0758	2.8135	2.6234	3.1328	5.0491	5.9738	4.8615	4.2539	4.9430
C5	1.5357	2.1800	2.1743	2.1842		1.0887	1.0842	1.5365	2.1733	2.1653	3.7057	4.4835	3.9339	2.5497	2.9070
H6	2.1602	3.0705	2.4946	2.5269	1.0887		1.7420	2.1566	2.5129	3.0577	3.8012	4.4736	3.9803	2.8005	3.1157
H7	2.1654	2.5253	2.5056	3.0758	1.0842	1.7420		2.1475	3.0548	2.5061	4.0635	4.7080	4.5148	2.7334	2.6353
C8	2.5477	2.8131	3.4929	2.8135	1.5365	2.1566	2.1475		1.0883	1.0890	2.4535	3.3610	2.6203	1.5281	2.4030
H9	2.7966	3.1587	3.7923	2.6234	2.1733	2.5129	3.0548	1.0883		1.7471	2.5401	3.5164	2.2748	2.1629	3.2539
H10	2.7768	2.6012	3.7760	3.1328	2.1653	3.0577	2.5061	1.0890	1.7471		2.9548	3.8475	3.1487	2.1106	2.8277
N11	4.9460	5.2595	5.8206	5.0491	3.7057	3.8012	4.0635	2.4535	2.5401	2.9548		0.9974	0.9944	1.3685	2.2490
H12	5.8218	6.1606	6.6362	5.9738	4.4835	4.4736	4.7080	3.3610	3.5164	3.8475	0.9974		1.7053	2.0285	2.4650
H13	4.9743	5.3211	5.9007	4.8615	3.9339	3.9803	4.5148	2.6203	2.2748	3.1487	0.9944	1.7053		2.0685	3.1327
C14	3.9136	4.2158	4.7157	4.2539	2.5497	2.8005	2.7334	1.5281	2.1629	2.1106	1.3685	2.0285	2.0685		1.2057
O15	4.3785	4.6562	5.0004	4.9430	2.9070	3.1157	2.6353	2.4030	3.2539	2.8277	2.2490	2.4650	3.1327	1.2057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.624	C1	C5	H7	110.295
C1	C5	C8	112.051	H2	C1	H3	107.679
H2	C1	H4	107.749	H2	C1	C5	111.210
H3	C1	H4	107.668	H3	C1	C5	110.829
H4	C1	C5	111.531	C5	C8	H9	110.621
C5	C8	H10	109.947	C5	C8	C14	112.606
H6	C5	H7	106.594	H6	C5	C8	109.286
H7	C5	C8	108.833	C8	C14	N11	115.671
C8	C14	O15	122.609	H9	C8	H10	106.725
H9	C8	C14	110.393	H10	C8	C14	106.294
N11	C14	O15	121.655	H12	N11	H13	117.787
H12	N11	C14	117.187	H13	N11	C14	121.377

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: HF/CEP-121G*

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	-0.509
2	H	0.154
3	H	0.178
4	H	0.146
5	C	-0.258
6	H	0.146
7	H	0.185
8	C	-0.432
9	H	0.148
10	H	0.185
11	N	-0.699
12	H	0.381
13	H	0.378
14	C	0.446
15	O	-0.449

	x	y	z	Total
	-0.275	-3.784	-0.759	3.869
CHELPG
AIM
ESP

	x	y	z
x	8.738	-0.198	-0.157
y	-0.198	7.930	0.062
z	-0.157	0.062	6.369

<r²>	177.707
(<r²>)^1/2	13.331

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)