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	hartrees
Energy at 0K	-247.333198
Energy at 298.15K	-247.341689
HF Energy	-246.873444
Nuclear repulsion energy	180.199685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3035	1.02
2	A'	3201	2994	24.62
3	A'	3122	2920	49.41
4	A'	3103	2902	81.39
5	A'	3097	2896	29.06
6	A'	1765	1650	451.37
7	A'	1628	1522	12.41
8	A'	1605	1501	10.44
9	A'	1562	1461	11.65
10	A'	1539	1439	10.69
11	A'	1503	1406	87.09
12	A'	1494	1397	60.30
13	A'	1334	1248	44.55
14	A'	1159	1084	125.00
15	A'	1140	1066	10.19
16	A'	901	842	2.93
17	A'	679	635	9.37
18	A'	414	387	1.64
19	A'	336	314	13.83
20	A"	3161	2956	22.10
21	A"	3158	2953	56.65
22	A"	1596	1493	18.44
23	A"	1575	1473	5.00
24	A"	1245	1164	6.81
25	A"	1192	1115	0.01
26	A"	1071	1002	1.20
27	A"	353	330	39.23
28	A"	240	225	0.65
29	A"	163	153	0.04
30	A"	112	105	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.710	-0.816	0.000
O2	0.220	-1.958	0.000
N3	0.000	0.348	0.000
C4	-1.464	0.326	0.000
C5	0.660	1.652	0.000
H6	1.796	-0.664	0.000
H7	-1.791	-0.712	0.000
H8	-1.853	0.831	0.890
H9	-1.853	0.831	-0.890
H10	1.743	1.516	0.000
H11	0.381	2.227	-0.889
H12	0.381	2.227	0.889

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2428	1.3634	2.4559	2.4679	1.0961	2.5037	3.1742	3.1742	2.5501	3.1867	3.1867
O2	1.2428		2.3164	2.8379	3.6361	2.0389	2.3661	3.5874	3.5874	3.7929	4.2809	4.2809
N3	1.3634	2.3164		1.4641	1.4610	2.0611	2.0814	2.1119	2.1119	2.0982	2.1130	2.1130
C4	2.4559	2.8379	1.4641		2.5032	3.4067	1.0885	1.0951	1.0951	3.4207	2.7937	2.7937
C5	2.4679	3.6361	1.4610	2.5032		2.5790	3.4048	2.7893	2.7893	1.0921	1.0951	1.0951
H6	1.0961	2.0389	2.0611	3.4067	2.5790		3.5873	4.0424	4.0424	2.1801	3.3387	3.3387
H7	2.5037	2.3661	2.0814	1.0885	3.4048	3.5873		1.7825	1.7825	4.1779	3.7607	3.7607
H8	3.1742	3.5874	2.1119	1.0951	2.7893	4.0424	1.7825		1.7809	3.7677	3.1788	2.6339
H9	3.1742	3.5874	2.1119	1.0951	2.7893	4.0424	1.7825	1.7809		3.7677	2.6339	3.1788
H10	2.5501	3.7929	2.0982	3.4207	1.0921	2.1801	4.1779	3.7677	3.7677		1.7755	1.7755
H11	3.1867	4.2809	2.1130	2.7937	1.0951	3.3387	3.7607	3.1788	2.6339	1.7755		1.7786
H12	3.1867	4.2809	2.1130	2.7937	1.0951	3.3387	3.7607	2.6339	3.1788	1.7755	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.544	C1	N3	C5	121.763
O2	C1	N3	125.381	O2	C1	H6	121.197
N3	C1	H6	113.422	N3	C4	H7	108.353
N3	C4	H8	110.393	N3	C4	H9	110.393
N3	C5	H10	109.696	N3	C5	H11	110.702
N3	C5	H12	110.702	C4	N3	C5	117.693
H7	C4	H8	109.439	H7	C4	H9	109.439
H8	C4	H9	108.809	H10	C5	H11	108.542
H10	C5	H12	108.542	H11	C5	H12	108.596

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)