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	hartrees
Energy at 0K	-247.910582
Energy at 298.15K	-247.918906
HF Energy	-247.043112
Nuclear repulsion energy	181.624114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3047	0.52
2	A'	3185	3017	16.10
3	A'	3071	2908	49.79
4	A'	3063	2901	52.10
5	A'	3007	2848	96.87
6	A'	1796	1701	423.13
7	A'	1578	1495	21.70
8	A'	1544	1462	16.57
9	A'	1504	1424	7.25
10	A'	1471	1393	25.34
11	A'	1463	1385	44.62
12	A'	1443	1366	44.45
13	A'	1320	1250	36.03
14	A'	1121	1061	115.58
15	A'	1105	1046	3.60
16	A'	897	849	2.38
17	A'	668	632	6.72
18	A'	395	374	1.25
19	A'	325	308	10.61
20	A"	3142	2976	16.69
21	A"	3131	2965	51.35
22	A"	1540	1458	19.78
23	A"	1518	1437	4.07
24	A"	1197	1134	2.84
25	A"	1150	1089	0.12
26	A"	1024	970	0.02
27	A"	332	315	17.04
28	A"	232	219	2.83
29	A"	164	156	0.45
30	A"	76	72	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.698	-0.823	0.000
O2	0.213	-1.941	0.000
N3	0.000	0.348	0.000
C4	-1.448	0.332	0.000
C5	0.658	1.634	0.000
H6	1.790	-0.652	0.000
H7	-1.774	-0.706	0.000
H8	-1.837	0.836	0.889
H9	-1.837	0.836	-0.889
H10	1.739	1.493	0.000
H11	0.383	2.213	-0.888
H12	0.383	2.213	0.888

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2186	1.3633	2.4366	2.4575	1.1056	2.4743	3.1577	3.1577	2.5395	3.1786	3.1786
O2	1.2186		2.2993	2.8151	3.6028	2.0367	2.3395	3.5651	3.5651	3.7580	4.2512	4.2512
N3	1.3633	2.2993		1.4478	1.4443	2.0505	2.0634	2.0989	2.0989	2.0821	2.1005	2.1005
C4	2.4366	2.8151	1.4478		2.4757	3.3839	1.0879	1.0942	1.0942	3.3919	2.7711	2.7711
C5	2.4575	3.6028	1.4443	2.4757		2.5512	3.3747	2.7664	2.7664	1.0906	1.0948	1.0948
H6	1.1056	2.0367	2.0505	3.3839	2.5512		3.5641	4.0204	4.0204	2.1457	3.3128	3.3128
H7	2.4743	2.3395	2.0634	1.0879	3.3747	3.5641		1.7815	1.7815	4.1445	3.7365	3.7365
H8	3.1577	3.5651	2.0989	1.0942	2.7664	4.0204	1.7815		1.7789	3.7436	3.1599	2.6127
H9	3.1577	3.5651	2.0989	1.0942	2.7664	4.0204	1.7815	1.7789		3.7436	2.6127	3.1599
H10	2.5395	3.7580	2.0821	3.3919	1.0906	2.1457	4.1445	3.7436	3.7436		1.7733	1.7733
H11	3.1786	4.2512	2.1005	2.7711	1.0948	3.3128	3.7365	3.1599	2.6127	1.7733		1.7757
H12	3.1786	4.2512	2.1005	2.7711	1.0948	3.3128	3.7365	2.6127	3.1599	1.7733	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.134	C1	N3	C5	122.128
O2	C1	N3	125.787	O2	C1	H6	122.329
N3	C1	H6	111.884	N3	C4	H7	108.087
N3	C4	H8	110.539	N3	C4	H9	110.539
N3	C5	H10	109.658	N3	C5	H11	110.885
N3	C5	H12	110.885	C4	N3	C5	117.738
H7	C4	H8	109.455	H7	C4	H9	109.455
H8	C4	H9	108.750	H10	C5	H11	108.477
H10	C5	H12	108.477	H11	C5	H12	108.388

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H7NO (dimethylformamide)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)