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	hartrees
Energy at 0K	-247.045380
Energy at 298.15K	-247.053885
HF Energy	-247.045380
Nuclear repulsion energy	183.148734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3018	4.71
2	A'	3278	2964	43.32
3	A'	3188	2883	63.17
4	A'	3176	2872	126.28
5	A'	3173	2869	30.67
6	A'	1942	1756	621.46
7	A'	1678	1518	38.11
8	A'	1645	1488	10.02
9	A'	1617	1462	15.53
10	A'	1585	1433	39.46
11	A'	1577	1427	7.54
12	A'	1548	1400	136.55
13	A'	1402	1268	62.76
14	A'	1193	1079	147.66
15	A'	1183	1070	9.93
16	A'	936	847	5.80
17	A'	712	644	10.50
18	A'	426	385	1.76
19	A'	350	317	13.50
20	A"	3222	2914	107.37
21	A"	3222	2914	18.24
22	A"	1640	1483	15.99
23	A"	1619	1464	2.67
24	A"	1285	1162	6.22
25	A"	1237	1118	0.01
26	A"	1159	1049	3.85
27	A"	344	311	30.31
28	A"	241	218	1.42
29	A"	158	143	0.25
30	A"	75	68	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	-0.824	0.000
O2	0.215	-1.918	0.000
N3	0.000	0.337	0.000
C4	-1.446	0.339	0.000
C5	0.666	1.615	0.000
H6	1.767	-0.672	0.000
H7	-1.800	-0.678	0.000
H8	-1.827	0.847	0.881
H9	-1.827	0.847	-0.881
H10	1.739	1.478	0.000
H11	0.399	2.193	-0.879
H12	0.399	2.193	0.879

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.1909	1.3482	2.4283	2.4393	1.0919	2.4899	3.1433	3.1433	2.5320	3.1555	3.1555
O2	1.1909		2.2646	2.8016	3.5617	1.9906	2.3652	3.5477	3.5477	3.7227	4.2076	4.2076
N3	1.3482	2.2646		1.4461	1.4416	2.0344	2.0664	2.0912	2.0912	2.0803	2.0922	2.0922
C4	2.4283	2.8016	1.4461		2.4681	3.3681	1.0767	1.0858	1.0858	3.3829	2.7594	2.7594
C5	2.4393	3.5617	1.4416	2.4681		2.5380	3.3678	2.7532	2.7532	1.0815	1.0857	1.0857
H6	1.0919	1.9906	2.0344	3.3681	2.5380		3.5668	3.9996	3.9996	2.1504	3.2941	3.2941
H7	2.4899	2.3652	2.0664	1.0767	3.3678	3.5668		1.7616	1.7616	4.1443	3.7216	3.7216
H8	3.1433	3.5477	2.0912	1.0858	2.7532	3.9996	1.7616		1.7612	3.7267	3.1402	2.6006
H9	3.1433	3.5477	2.0912	1.0858	2.7532	3.9996	1.7616	1.7612		3.7267	2.6006	3.1402
H10	2.5320	3.7227	2.0803	3.3829	1.0815	2.1504	4.1443	3.7267	3.7267		1.7551	1.7551
H11	3.1555	4.2076	2.0922	2.7594	1.0857	3.2941	3.7216	3.1402	2.6006	1.7551		1.7589
H12	3.1555	4.2076	2.0922	2.7594	1.0857	3.2941	3.7216	2.6006	3.1402	1.7551	1.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.646	C1	N3	C5	121.906
O2	C1	N3	126.122	O2	C1	H6	121.324
N3	C1	H6	112.554	N3	C4	H7	109.106
N3	C4	H8	110.558	N3	C4	H9	110.558
N3	C5	H10	110.261	N3	C5	H11	110.974
N3	C5	H12	110.974	C4	N3	C5	117.448
H7	C4	H8	109.096	H7	C4	H9	109.096
H8	C4	H9	108.397	H10	C5	H11	108.164
H10	C5	H12	108.164	H11	C5	H12	108.203

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: HF/6-311G*

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	0.341
2	O	-0.480
3	N	-0.445
4	C	-0.473
5	C	-0.448
6	H	0.167
7	H	0.263
8	H	0.212
9	H	0.212
10	H	0.216
11	H	0.218
12	H	0.218

	x	y	z	Total
	0.429	4.082	0.000	4.104
CHELPG
AIM
ESP

	x	y	z
x	6.122	-0.106	0.000
y	-0.106	7.193	0.000
z	0.000	0.000	4.477

<r²>	122.630
(<r²>)^1/2	11.074

All results from a given calculation for C3H7NO (dimethylformamide)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)