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	hartrees
Energy at 0K	-46.664666
Energy at 298.15K	-46.672897
HF Energy	-45.922743
Nuclear repulsion energy	101.117626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3063	0.98
2	A'	3182	3031	20.78
3	A'	3058	2914	56.60
4	A'	3051	2907	60.86
5	A'	3027	2884	87.87
6	A'	1734	1652	473.16
7	A'	1568	1494	13.68
8	A'	1539	1467	12.98
9	A'	1497	1426	14.58
10	A'	1466	1397	21.53
11	A'	1453	1384	62.31
12	A'	1429	1362	32.68
13	A'	1303	1242	36.13
14	A'	1116	1063	116.29
15	A'	1100	1048	3.70
16	A'	879	838	2.13
17	A'	653	622	7.26
18	A'	390	371	1.37
19	A'	317	303	10.87
20	A"	3138	2990	14.07
21	A"	3130	2982	61.18
22	A"	1534	1461	16.95
23	A"	1511	1440	3.27
24	A"	1186	1130	5.31
25	A"	1138	1085	0.10
26	A"	999	952	0.29
27	A"	327	312	18.43
28	A"	224	214	3.14
29	A"	145	138	0.53
30	A"	74	70	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.711	-0.822	0.000
O2	0.217	-1.958	0.000
N3	0.000	0.351	0.000
C4	-1.461	0.326	0.000
C5	0.658	1.653	0.000
H6	1.803	-0.651	0.000
H7	-1.779	-0.717	0.000
H8	-1.848	0.833	0.893
H9	-1.848	0.833	-0.893
H10	1.742	1.512	0.000
H11	0.376	2.227	-0.891
H12	0.376	2.227	0.891

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2391	1.3717	2.4566	2.4752	1.1054	2.4924	3.1749	3.1749	2.5517	3.1937	3.1937
O2	1.2391		2.3195	2.8340	3.6377	2.0554	2.3505	3.5842	3.5842	3.7908	4.2814	4.2814
N3	1.3717	2.3195		1.4613	1.4582	2.0630	2.0751	2.1076	2.1076	2.0933	2.1100	2.1100
C4	2.4566	2.8340	1.4613		2.4999	3.4073	1.0901	1.0968	1.0968	3.4155	2.7892	2.7892
C5	2.4752	3.6377	1.4582	2.4999		2.5730	3.3989	2.7831	2.7831	1.0931	1.0971	1.0971
H6	1.1054	2.0554	2.0630	3.4073	2.5730		3.5829	4.0405	4.0405	2.1645	3.3337	3.3337
H7	2.4924	2.3505	2.0751	1.0901	3.3989	3.5829		1.7893	1.7893	4.1672	3.7549	3.7549
H8	3.1749	3.5842	2.1076	1.0968	2.7831	4.0405	1.7893		1.7854	3.7606	3.1730	2.6239
H9	3.1749	3.5842	2.1076	1.0968	2.7831	4.0405	1.7893	1.7854		3.7606	2.6239	3.1730
H10	2.5517	3.7908	2.0933	3.4155	1.0931	2.1645	4.1672	3.7606	3.7606		1.7808	1.7808
H11	3.1937	4.2814	2.1100	2.7892	1.0971	3.3337	3.7549	3.1730	2.6239	1.7808		1.7830
H12	3.1937	4.2814	2.1100	2.7892	1.0971	3.3337	3.7549	2.6239	3.1730	1.7808	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.224	C1	N3	C5	121.975
O2	C1	N3	125.275	O2	C1	H6	122.390
N3	C1	H6	112.335	N3	C4	H7	107.965
N3	C4	H8	110.140	N3	C4	H9	110.140
N3	C5	H10	109.434	N3	C5	H11	110.533
N3	C5	H12	110.533	C4	N3	C5	117.802
H7	C4	H8	109.814	H7	C4	H9	109.814
H8	C4	H9	108.958	H10	C5	H11	108.798
H10	C5	H12	108.798	H11	C5	H12	108.703

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2/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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All results from a given calculation for C3H7NO (dimethylformamide)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)