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	hartrees
Energy at 0K	-247.389737
Energy at 298.15K	-247.398124
HF Energy	-246.869709
Nuclear repulsion energy	178.634976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3032	1.19
2	A'	3159	3002	20.57
3	A'	3055	2903	33.94
4	A'	3048	2896	57.19
5	A'	3039	2887	90.55
6	A'	1680	1596	310.87
7	A'	1599	1519	9.62
8	A'	1581	1502	10.38
9	A'	1522	1446	16.65
10	A'	1501	1426	15.75
11	A'	1457	1384	81.12
12	A'	1434	1363	15.36
13	A'	1284	1220	37.09
14	A'	1122	1066	110.63
15	A'	1109	1054	14.15
16	A'	867	823	1.18
17	A'	651	618	6.63
18	A'	399	379	1.36
19	A'	323	307	11.70
20	A"	3124	2968	23.42
21	A"	3117	2961	50.42
22	A"	1571	1492	15.95
23	A"	1549	1471	5.09
24	A"	1216	1155	5.59
25	A"	1166	1108	0.06
26	A"	1006	956	0.00
27	A"	338	321	27.92
28	A"	231	219	2.02
29	A"	169	161	0.26
30	A"	115	109	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.714	-0.822	0.000
O2	0.212	-1.982	0.000
N3	0.000	0.357	0.000
C4	-1.473	0.334	0.000
C5	0.670	1.665	0.000
H6	1.806	-0.664	0.000
H7	-1.790	-0.713	0.000
H8	-1.864	0.839	0.895
H9	-1.864	0.839	-0.895
H10	1.757	1.514	0.000
H11	0.394	2.243	-0.894
H12	0.394	2.243	0.894

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2640	1.3790	2.4743	2.4880	1.1026	2.5063	3.1950	3.1950	2.5587	3.2090	3.2090
O2	1.2640		2.3489	2.8643	3.6761	2.0684	2.3698	3.6149	3.6149	3.8227	4.3225	4.3225
N3	1.3790	2.3489		1.4731	1.4699	2.0741	2.0852	2.1229	2.1229	2.1038	2.1237	2.1237
C4	2.4743	2.8643	1.4731		2.5231	3.4270	1.0941	1.0993	1.0993	3.4388	2.8157	2.8157
C5	2.4880	3.6761	1.4699	2.5231		2.5908	3.4218	2.8119	2.8119	1.0969	1.0997	1.0997
H6	1.1026	2.0684	2.0741	3.4270	2.5908		3.5954	4.0648	4.0648	2.1785	3.3526	3.3526
H7	2.5063	2.3698	2.0852	1.0941	3.4218	3.5954		1.7931	1.7931	4.1880	3.7822	3.7822
H8	3.1950	3.6149	2.1229	1.0993	2.8119	4.0648	1.7931		1.7901	3.7904	3.2046	2.6587
H9	3.1950	3.6149	2.1229	1.0993	2.8119	4.0648	1.7931	1.7901		3.7904	2.6587	3.2046
H10	2.5587	3.8227	2.1038	3.4388	1.0969	2.1785	4.1880	3.7904	3.7904		1.7854	1.7854
H11	3.2090	4.3225	2.1237	2.8157	1.0997	3.3526	3.7822	3.2046	2.6587	1.7854		1.7878
H12	3.2090	4.3225	2.1237	2.8157	1.0997	3.3526	3.7822	2.6587	3.2046	1.7854	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.307	C1	N3	C5	121.658
O2	C1	N3	125.370	O2	C1	H6	121.701
N3	C1	H6	112.929	N3	C4	H7	107.715
N3	C4	H8	110.383	N3	C4	H9	110.383
N3	C5	H10	109.232	N3	C5	H11	110.659
N3	C5	H12	110.659	C4	N3	C5	118.035
H7	C4	H8	109.668	H7	C4	H9	109.668
H8	C4	H9	109.011	H10	C5	H11	108.744
H10	C5	H12	108.744	H11	C5	H12	108.757

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)