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	hartrees
Energy at 0K	-248.514608
Energy at 298.15K	-248.522922
HF Energy	-248.514608
Nuclear repulsion energy	180.153218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	3056	2.15
2	A'	3028	3019	16.84
3	A'	2941	2932	62.00
4	A'	2929	2921	52.00
5	A'	2835	2827	103.78
6	A'	1690	1685	373.80
7	A'	1499	1495	10.82
8	A'	1468	1463	11.88
9	A'	1429	1425	8.33
10	A'	1400	1396	6.50
11	A'	1383	1378	0.80
12	A'	1356	1352	79.57
13	A'	1216	1212	31.64
14	A'	1054	1051	111.94
15	A'	1046	1043	6.42
16	A'	833	831	1.29
17	A'	634	632	6.36
18	A'	382	380	1.52
19	A'	309	309	10.63
20	A"	2978	2969	25.42
21	A"	2964	2955	50.19
22	A"	1465	1460	11.42
23	A"	1443	1439	3.53
24	A"	1143	1140	2.17
25	A"	1098	1095	0.14
26	A"	969	967	0.26
27	A"	330	329	12.93
28	A"	228	227	1.05
29	A"	176	176	0.06
30	A"	129	129	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	-0.834	0.000
O2	0.204	-1.957	0.000
N3	0.000	0.350	0.000
C4	-1.464	0.346	0.000
C5	0.680	1.640	0.000
H6	1.796	-0.661	0.000
H7	-1.799	-0.694	0.000
H8	-1.852	0.858	0.892
H9	-1.852	0.858	-0.892
H10	1.764	1.482	0.000
H11	0.414	2.229	-0.891
H12	0.414	2.229	0.891

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2263	1.3742	2.4623	2.4748	1.1122	2.5002	3.1874	3.1874	2.5500	3.2027	3.2027
O2	1.2263		2.3160	2.8438	3.6289	2.0528	2.3685	3.5986	3.5986	3.7761	4.2850	4.2850
N3	1.3742	2.3160		1.4635	1.4588	2.0605	2.0796	2.1178	2.1178	2.0958	2.1204	2.1204
C4	2.4623	2.8438	1.4635		2.5039	3.4113	1.0925	1.0994	1.0994	3.4213	2.8042	2.8042
C5	2.4748	3.6289	1.4588	2.5039		2.5573	3.4048	2.7965	2.7965	1.0953	1.1002	1.1002
H6	1.1122	2.0528	2.0605	3.4113	2.5573		3.5950	4.0510	4.0510	2.1427	3.3245	3.3245
H7	2.5002	2.3685	2.0796	1.0925	3.4048	3.5950		1.7903	1.7903	4.1744	3.7725	3.7725
H8	3.1874	3.5986	2.1178	1.0994	2.7965	4.0510	1.7903		1.7840	3.7764	3.1929	2.6489
H9	3.1874	3.5986	2.1178	1.0994	2.7965	4.0510	1.7903	1.7840		3.7764	2.6489	3.1929
H10	2.5500	3.7761	2.0958	3.4213	1.0953	2.1427	4.1744	3.7764	3.7764		1.7814	1.7814
H11	3.2027	4.2850	2.1204	2.8042	1.1002	3.3245	3.7725	3.1929	2.6489	1.7814		1.7813
H12	3.2027	4.2850	2.1204	2.8042	1.1002	3.3245	3.7725	2.6489	3.1929	1.7814	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.352	C1	N3	C5	121.726
O2	C1	N3	125.804	O2	C1	H6	122.693
N3	C1	H6	111.503	N3	C4	H7	108.021
N3	C4	H8	110.642	N3	C4	H9	110.642
N3	C5	H10	109.460	N3	C5	H11	111.140
N3	C5	H12	111.140	C4	N3	C5	117.921
H7	C4	H8	109.531	H7	C4	H9	109.531
H8	C4	H9	108.461	H10	C5	H11	108.457
H10	C5	H12	108.457	H11	C5	H12	108.106

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: BLYP/cc-pVTZ

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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Number	Element	Mulliken
1	C	0.119
2	O	-0.326
3	N	-0.015
4	C	-0.190
5	C	-0.168
6	H	0.027
7	H	0.115
8	H	0.087
9	H	0.087
10	H	0.091
11	H	0.086
12	H	0.086

	x	y	z	Total
	0.089	3.881	0.000	3.882
CHELPG
AIM
ESP

	x	y	z
x	7.981	-0.180	0.000
y	-0.180	9.222	0.000
z	0.000	0.000	5.490

<r²>	126.091
(<r²>)^1/2	11.229

All results from a given calculation for C3H7NO (dimethylformamide)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)