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	hartrees
Energy at 0K	-46.604761
Energy at 298.15K	-46.612954
HF Energy	-45.910668
Nuclear repulsion energy	100.642534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3063	2.30
2	A'	3199	3037	24.79
3	A'	3078	2922	54.16
4	A'	3071	2915	74.55
5	A'	3048	2894	97.87
6	A'	1768	1678	494.88
7	A'	1556	1478	21.36
8	A'	1524	1447	13.72
9	A'	1490	1415	13.30
10	A'	1462	1388	30.62
11	A'	1451	1378	51.52
12	A'	1427	1355	20.74
13	A'	1306	1240	35.47
14	A'	1113	1057	112.57
15	A'	1095	1040	4.26
16	A'	881	836	1.96
17	A'	652	619	6.65
18	A'	387	367	1.61
19	A'	315	299	11.19
20	A"	3160	3000	21.26
21	A"	3150	2991	58.73
22	A"	1521	1444	19.47
23	A"	1500	1424	3.65
24	A"	1182	1123	3.32
25	A"	1140	1082	0.16
26	A"	1007	956	0.64
27	A"	326	309	22.78
28	A"	226	214	3.53
29	A"	147	140	0.57
30	A"	66	63	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.705	-0.831	0.000
O2	0.209	-1.971	0.000
N3	0.000	0.351	0.000
C4	-1.465	0.346	0.000
C5	0.672	1.650	0.000
H6	1.805	-0.660	0.000
H7	-1.804	-0.700	0.000
H8	-1.847	0.863	0.900
H9	-1.847	0.863	-0.900
H10	1.764	1.499	0.000
H11	0.392	2.231	-0.899
H12	0.392	2.231	0.899

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2436	1.3766	2.4690	2.4807	1.1129	2.5129	3.1924	3.1924	2.5587	3.2061	3.2061
O2	1.2436		2.3320	2.8587	3.6503	2.0656	2.3812	3.6151	3.6151	3.8022	4.3009	4.3009
N3	1.3766	2.3320		1.4654	1.4619	2.0689	2.0881	2.1172	2.1172	2.1040	2.1197	2.1197
C4	2.4690	2.8587	1.4654		2.5038	3.4215	1.0991	1.1060	1.1060	3.4287	2.7947	2.7947
C5	2.4807	3.6503	1.4619	2.5038		2.5722	3.4135	2.7881	2.7881	1.1020	1.1063	1.1063
H6	1.1129	2.0656	2.0689	3.4215	2.5722		3.6094	4.0575	4.0575	2.1588	3.3406	3.3406
H7	2.5129	2.3812	2.0881	1.0991	3.4135	3.6094		1.8040	1.8040	4.1908	3.7708	3.7708
H8	3.1924	3.6151	2.1172	1.1060	2.7881	4.0575	1.8040		1.8004	3.7748	3.1809	2.6234
H9	3.1924	3.6151	2.1172	1.1060	2.7881	4.0575	1.8040	1.8004		3.7748	2.6234	3.1809
H10	2.5587	3.8022	2.1040	3.4287	1.1020	2.1588	4.1908	3.7748	3.7748		1.7959	1.7959
H11	3.2061	4.3009	2.1197	2.7947	1.1063	3.3406	3.7708	3.1809	2.6234	1.7959		1.7973
H12	3.2061	4.3009	2.1197	2.7947	1.1063	3.3406	3.7708	2.6234	3.1809	1.7959	1.7973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.598	C1	N3	C5	121.812
O2	C1	N3	125.670	O2	C1	H6	122.356
N3	C1	H6	111.974	N3	C4	H7	108.174
N3	C4	H8	110.057	N3	C4	H9	110.057
N3	C5	H10	109.499	N3	C5	H11	110.494
N3	C5	H12	110.494	C4	N3	C5	117.590
H7	C4	H8	109.792	H7	C4	H9	109.792
H8	C4	H9	108.960	H10	C5	H11	108.835
H10	C5	H12	108.835	H11	C5	H12	108.643

All results from a given calculation for C₃H₇NO (dimethylformamide)

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

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)