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	hartrees
Energy at 0K	-247.817070
Energy at 298.15K	-247.825378
HF Energy	-247.042911
Nuclear repulsion energy	181.470496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3054	0.55
2	A'	3182	3024	16.36
3	A'	3067	2915	50.49
4	A'	3060	2908	52.02
5	A'	3005	2856	96.97
6	A'	1791	1702	421.02
7	A'	1577	1499	20.67
8	A'	1543	1467	16.38
9	A'	1502	1428	7.36
10	A'	1469	1396	22.87
11	A'	1460	1388	46.52
12	A'	1441	1369	45.93
13	A'	1317	1251	36.35
14	A'	1119	1063	116.29
15	A'	1103	1048	3.87
16	A'	894	850	2.38
17	A'	666	633	6.74
18	A'	394	375	1.25
19	A'	324	308	10.56
20	A"	3139	2983	16.12
21	A"	3128	2973	52.74
22	A"	1539	1462	19.44
23	A"	1517	1441	3.98
24	A"	1196	1136	2.95
25	A"	1149	1092	0.11
26	A"	1021	970	0.02
27	A"	331	314	16.92
28	A"	230	219	2.94
29	A"	163	155	0.49
30	A"	73	70	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	-0.826	0.000
O2	0.220	-1.946	0.000
N3	0.000	0.346	0.000
C4	-1.452	0.339	0.000
C5	0.655	1.635	0.000
H6	1.792	-0.650	0.000
H7	-1.777	-0.699	0.000
H8	-1.842	0.841	0.891
H9	-1.842	0.841	-0.891
H10	1.736	1.492	0.000
H11	0.381	2.215	-0.888
H12	0.381	2.215	0.888

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2173	1.3652	2.4461	2.4617	1.1077	2.4789	3.1670	3.1670	2.5402	3.1847	3.1847
O2	1.2173		2.3025	2.8310	3.6067	2.0372	2.3541	3.5793	3.5793	3.7573	4.2577	4.2577
N3	1.3652	2.3025		1.4518	1.4453	2.0509	2.0613	2.1050	2.1050	2.0801	2.1041	2.1041
C4	2.4461	2.8310	1.4518		2.4731	3.3917	1.0876	1.0945	1.0945	3.3899	2.7690	2.7690
C5	2.4617	3.6067	1.4453	2.4731		2.5527	3.3701	2.7669	2.7669	1.0906	1.0958	1.0958
H6	1.1077	2.0372	2.0509	3.3917	2.5527		3.5695	4.0282	4.0282	2.1434	3.3156	3.3156
H7	2.4789	2.3541	2.0613	1.0876	3.3701	3.5695		1.7803	1.7803	4.1401	3.7331	3.7331
H8	3.1670	3.5793	2.1050	1.0945	2.7669	4.0282	1.7803		1.7816	3.7441	3.1612	2.6131
H9	3.1670	3.5793	2.1050	1.0945	2.7669	4.0282	1.7803	1.7816		3.7441	2.6131	3.1612
H10	2.5402	3.7573	2.0801	3.3899	1.0906	2.1434	4.1401	3.7441	3.7441		1.7742	1.7742
H11	3.1847	4.2577	2.1041	2.7690	1.0958	3.3156	3.7331	3.1612	2.6131	1.7742		1.7762
H12	3.1847	4.2577	2.1041	2.7690	1.0958	3.3156	3.7331	2.6131	3.1612	1.7742	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.505	C1	N3	C5	122.277
O2	C1	N3	126.051	O2	C1	H6	122.308
N3	C1	H6	111.641	N3	C4	H7	107.674
N3	C4	H8	110.740	N3	C4	H9	110.740
N3	C5	H10	109.427	N3	C5	H11	111.045
N3	C5	H12	111.045	C4	N3	C5	117.219
H7	C4	H8	109.350	H7	C4	H9	109.350
H8	C4	H9	108.959	H10	C5	H11	108.480
H10	C5	H12	108.480	H11	C5	H12	108.288

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)