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	hartrees
Energy at 0K	-247.806175
Energy at 298.15K	-247.814527
HF Energy	-247.000753
Nuclear repulsion energy	181.648774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3056	1.15
2	A'	3216	3016	19.58
3	A'	3108	2914	49.80
4	A'	3099	2906	46.96
5	A'	3066	2875	84.22
6	A'	1857	1741	456.30
7	A'	1602	1502	20.58
8	A'	1572	1474	12.65
9	A'	1528	1433	6.87
10	A'	1504	1410	70.49
11	A'	1490	1397	3.04
12	A'	1476	1383	77.81
13	A'	1342	1258	41.56
14	A'	1138	1067	118.42
15	A'	1120	1050	2.54
16	A'	907	851	3.42
17	A'	677	635	7.43
18	A'	401	376	1.31
19	A'	333	312	12.27
20	A"	3172	2974	21.81
21	A"	3165	2967	50.16
22	A"	1561	1464	11.61
23	A"	1538	1442	2.99
24	A"	1215	1139	5.35
25	A"	1166	1093	0.01
26	A"	1055	989	1.19
27	A"	331	310	20.91
28	A"	226	212	2.51
29	A"	161	151	0.53
30	A"	80	75	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	-0.822	0.000
O2	0.213	-1.939	0.000
N3	0.000	0.347	0.000
C4	-1.450	0.331	0.000
C5	0.660	1.634	0.000
H6	1.787	-0.653	0.000
H7	-1.777	-0.704	0.000
H8	-1.838	0.836	0.887
H9	-1.838	0.836	-0.887
H10	1.739	1.492	0.000
H11	0.387	2.212	-0.886
H12	0.387	2.212	0.886

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2188	1.3615	2.4388	2.4564	1.1006	2.4786	3.1576	3.1576	2.5369	3.1758	3.1758
O2	1.2188		2.2958	2.8140	3.6016	2.0326	2.3418	3.5630	3.5630	3.7557	4.2483	4.2483
N3	1.3615	2.2958		1.4505	1.4471	2.0473	2.0642	2.0986	2.0986	2.0825	2.1008	2.1008
C4	2.4388	2.8140	1.4505		2.4808	3.3832	1.0849	1.0919	1.0919	3.3945	2.7746	2.7746
C5	2.4564	3.6016	1.4471	2.4808		2.5497	3.3775	2.7684	2.7684	1.0883	1.0923	1.0923
H6	1.1006	2.0326	2.0473	3.3832	2.5497		3.5638	4.0176	4.0176	2.1457	3.3096	3.3096
H7	2.4786	2.3418	2.0642	1.0849	3.3775	3.5638		1.7783	1.7783	4.1455	3.7373	3.7373
H8	3.1576	3.5630	2.0986	1.0919	2.7684	4.0176	1.7783		1.7738	3.7433	3.1595	2.6154
H9	3.1576	3.5630	2.0986	1.0919	2.7684	4.0176	1.7783	1.7738		3.7433	2.6154	3.1595
H10	2.5369	3.7557	2.0825	3.3945	1.0883	2.1457	4.1455	3.7433	3.7433		1.7699	1.7699
H11	3.1758	4.2483	2.1008	2.7746	1.0923	3.3096	3.7373	3.1595	2.6154	1.7699		1.7716
H12	3.1758	4.2483	2.1008	2.7746	1.0923	3.3096	3.7373	2.6154	3.1595	1.7699	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.259	C1	N3	C5	121.965
O2	C1	N3	125.594	O2	C1	H6	122.328
N3	C1	H6	112.077	N3	C4	H7	108.143
N3	C4	H8	110.469	N3	C4	H9	110.469
N3	C5	H10	109.633	N3	C5	H11	110.866
N3	C5	H12	110.866	C4	N3	C5	117.776
H7	C4	H8	109.560	H7	C4	H9	109.560
H8	C4	H9	108.627	H10	C5	H11	108.517
H10	C5	H12	108.517	H11	C5	H12	108.373

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)