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	hartrees
Energy at 0K	-247.741383
Energy at 298.15K	-247.749740
HF Energy	-246.989320
Nuclear repulsion energy	181.584589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3040	0.40
2	A'	3195	2999	16.56
3	A'	3094	2904	43.84
4	A'	3086	2896	41.62
5	A'	3051	2864	79.35
6	A'	1864	1749	473.36
7	A'	1600	1502	30.49
8	A'	1567	1471	13.74
9	A'	1528	1434	4.52
10	A'	1505	1413	66.98
11	A'	1489	1398	6.89
12	A'	1476	1385	68.24
13	A'	1343	1260	40.87
14	A'	1139	1069	120.55
15	A'	1118	1050	2.69
16	A'	910	854	2.98
17	A'	681	639	8.08
18	A'	403	378	1.40
19	A'	335	314	12.49
20	A"	3153	2960	15.23
21	A"	3146	2953	47.81
22	A"	1558	1463	15.90
23	A"	1536	1442	3.80
24	A"	1212	1138	3.59
25	A"	1164	1093	0.02
26	A"	1052	988	0.75
27	A"	332	312	22.03
28	A"	229	215	2.75
29	A"	164	154	0.55
30	A"	83	77	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.700	-0.820	0.000
O2	0.215	-1.937	0.000
N3	0.000	0.346	0.000
C4	-1.451	0.327	0.000
C5	0.658	1.636	0.000
H6	1.792	-0.655	0.000
H7	-1.775	-0.713	0.000
H8	-1.840	0.833	0.891
H9	-1.840	0.833	-0.891
H10	1.741	1.495	0.000
H11	0.381	2.214	-0.889
H12	0.381	2.214	0.889

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2178	1.3597	2.4377	2.4559	1.1044	2.4780	3.1590	3.1590	2.5387	3.1774	3.1774
O2	1.2178		2.2927	2.8106	3.5999	2.0323	2.3366	3.5623	3.5623	3.7564	4.2481	4.2481
N3	1.3597	2.2927		1.4513	1.4480	2.0528	2.0672	2.1017	2.1017	2.0867	2.1037	2.1037
C4	2.4377	2.8106	1.4513		2.4823	3.3888	1.0891	1.0960	1.0960	3.3998	2.7764	2.7764
C5	2.4559	3.5999	1.4480	2.4823		2.5565	3.3820	2.7708	2.7708	1.0926	1.0964	1.0964
H6	1.1044	2.0323	2.0528	3.3888	2.5565		3.5682	4.0254	4.0254	2.1514	3.3189	3.3189
H7	2.4780	2.3366	2.0672	1.0891	3.3820	3.5682		1.7856	1.7856	4.1529	3.7426	3.7426
H8	3.1590	3.5623	2.1017	1.0960	2.7708	4.0254	1.7856		1.7813	3.7496	3.1634	2.6151
H9	3.1590	3.5623	2.1017	1.0960	2.7708	4.0254	1.7856	1.7813		3.7496	2.6151	3.1634
H10	2.5387	3.7564	2.0867	3.3998	1.0926	2.1514	4.1529	3.7496	3.7496		1.7772	1.7772
H11	3.1774	4.2481	2.1037	2.7764	1.0964	3.3189	3.7426	3.1634	2.6151	1.7772		1.7789
H12	3.1774	4.2481	2.1037	2.7764	1.0964	3.3189	3.7426	2.6151	3.1634	1.7772	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.239	C1	N3	C5	121.987
O2	C1	N3	125.529	O2	C1	H6	122.046
N3	C1	H6	112.426	N3	C4	H7	108.080
N3	C4	H8	110.416	N3	C4	H9	110.416
N3	C5	H10	109.645	N3	C5	H11	110.786
N3	C5	H12	110.786	C4	N3	C5	117.774
H7	C4	H8	109.606	H7	C4	H9	109.606
H8	C4	H9	108.706	H10	C5	H11	108.561
H10	C5	H12	108.561	H11	C5	H12	108.439

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)