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	hartrees
Energy at 0K	-248.110938
Energy at 298.15K	-248.119376
HF Energy	-247.082434
Nuclear repulsion energy	182.642432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3040	0.31
2	A'	3177	3016	10.78
3	A'	3080	2924	45.92
4	A'	3073	2917	49.41
5	A'	3017	2864	81.02
6	A'	1786	1696	435.10
7	A'	1574	1494	23.21
8	A'	1535	1457	13.33
9	A'	1481	1406	4.94
10	A'	1460	1386	59.51
11	A'	1449	1376	28.04
12	A'	1441	1368	23.39
13	A'	1321	1255	30.75
14	A'	1118	1061	105.77
15	A'	1096	1040	2.99
16	A'	898	852	2.00
17	A'	670	636	6.15
18	A'	390	370	1.44
19	A'	321	305	10.98
20	A"	3138	2980	11.42
21	A"	3127	2968	39.12
22	A"	1528	1451	14.24
23	A"	1506	1430	4.50
24	A"	1194	1133	3.10
25	A"	1146	1088	0.16
26	A"	1045	992	0.16
27	A"	344	326	14.61
28	A"	232	220	1.75
29	A"	173	165	0.27
30	A"	117	111	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	-0.820	0.000
O2	0.209	-1.935	0.000
N3	0.000	0.344	0.000
C4	-1.442	0.344	0.000
C5	0.660	1.618	0.000
H6	1.774	-0.640	0.000
H7	-1.767	-0.687	0.000
H8	-1.824	0.845	0.885
H9	-1.824	0.845	-0.885
H10	1.733	1.463	0.000
H11	0.393	2.196	-0.882
H12	0.393	2.196	0.882

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2138	1.3541	2.4293	2.4387	1.0981	2.4609	3.1437	3.1437	2.5099	3.1570	3.1570
O2	1.2138		2.2885	2.8134	3.5812	2.0309	2.3364	3.5560	3.5560	3.7236	4.2278	4.2278
N3	1.3541	2.2885		1.4417	1.4346	2.0286	2.0460	2.0887	2.0887	2.0623	2.0884	2.0884
C4	2.4293	2.8134	1.4417		2.4579	3.3625	1.0812	1.0869	1.0869	3.3658	2.7521	2.7521
C5	2.4387	3.5812	1.4346	2.4579		2.5178	3.3474	2.7484	2.7484	1.0837	1.0882	1.0882
H6	1.0981	2.0309	2.0286	3.3625	2.5178		3.5408	3.9920	3.9920	2.1034	3.2756	3.2756
H7	2.4609	2.3364	2.0460	1.0812	3.3474	3.5408		1.7708	1.7708	4.1073	3.7089	3.7089
H8	3.1437	3.5560	2.0887	1.0869	2.7484	3.9920	1.7708		1.7703	3.7172	3.1407	2.5961
H9	3.1437	3.5560	2.0887	1.0869	2.7484	3.9920	1.7708	1.7703		3.7172	2.5961	3.1407
H10	2.5099	3.7236	2.0623	3.3658	1.0837	2.1034	4.1073	3.7172	3.7172		1.7640	1.7640
H11	3.1570	4.2278	2.0884	2.7521	1.0882	3.2756	3.7089	3.1407	2.5961	1.7640		1.7646
H12	3.1570	4.2278	2.0884	2.7521	1.0882	3.2756	3.7089	2.5961	3.1407	1.7640	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.638	C1	N3	C5	121.943
O2	C1	N3	125.959	O2	C1	H6	122.834
N3	C1	H6	111.207	N3	C4	H7	107.524
N3	C4	H8	110.607	N3	C4	H9	110.607
N3	C5	H10	109.168	N3	C5	H11	111.007
N3	C5	H12	111.007	C4	N3	C5	117.419
H7	C4	H8	109.518	H7	C4	H9	109.518
H8	C4	H9	109.044	H10	C5	H11	108.623
H10	C5	H12	108.623	H11	C5	H12	108.348

All results from a given calculation for C₃H₇NO (dimethylformamide)

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

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)