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	hartrees
Energy at 0K	-247.383360
Energy at 298.15K	-247.391742
HF Energy	-246.869640
Nuclear repulsion energy	178.605434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3053	1.21
2	A'	3159	3022	20.68
3	A'	3055	2923	33.98
4	A'	3048	2916	57.28
5	A'	3039	2907	90.62
6	A'	1679	1606	310.66
7	A'	1599	1530	9.69
8	A'	1581	1513	10.36
9	A'	1522	1456	16.66
10	A'	1501	1436	15.71
11	A'	1456	1393	81.14
12	A'	1434	1372	15.32
13	A'	1284	1228	37.18
14	A'	1121	1073	110.67
15	A'	1109	1061	14.26
16	A'	866	829	1.18
17	A'	650	622	6.64
18	A'	399	382	1.36
19	A'	323	309	11.70
20	A"	3124	2989	23.50
21	A"	3116	2982	50.55
22	A"	1571	1503	15.89
23	A"	1549	1482	5.07
24	A"	1216	1163	5.61
25	A"	1166	1115	0.06
26	A"	1005	961	0.00
27	A"	337	323	27.90
28	A"	230	220	2.07
29	A"	169	162	0.27
30	A"	114	109	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.715	-0.823	0.000
O2	0.212	-1.983	0.000
N3	0.000	0.357	0.000
C4	-1.473	0.334	0.000
C5	0.671	1.665	0.000
H6	1.806	-0.664	0.000
H7	-1.790	-0.713	0.000
H8	-1.864	0.839	0.895
H9	-1.864	0.839	-0.895
H10	1.757	1.514	0.000
H11	0.394	2.243	-0.894
H12	0.394	2.243	0.894

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2641	1.3793	2.4749	2.4885	1.1027	2.5067	3.1955	3.1955	2.5589	3.2095	3.2095
O2	1.2641		2.3492	2.8647	3.6767	2.0687	2.3701	3.6154	3.6154	3.8230	4.3230	4.3230
N3	1.3793	2.3492		1.4735	1.4702	2.0744	2.0855	2.1232	2.1232	2.1040	2.1241	2.1241
C4	2.4749	2.8647	1.4735		2.5237	3.4276	1.0943	1.0995	1.0995	3.4394	2.8162	2.8162
C5	2.4885	3.6767	1.4702	2.5237		2.5911	3.4224	2.8124	2.8124	1.0970	1.0998	1.0998
H6	1.1027	2.0687	2.0744	3.4276	2.5911		3.5959	4.0653	4.0653	2.1786	3.3530	3.3530
H7	2.5067	2.3701	2.0855	1.0943	3.4224	3.5959		1.7934	1.7934	4.1885	3.7828	3.7828
H8	3.1955	3.6154	2.1232	1.0995	2.8124	4.0653	1.7934		1.7904	3.7909	3.2051	2.6592
H9	3.1955	3.6154	2.1232	1.0995	2.8124	4.0653	1.7934	1.7904		3.7909	2.6592	3.2051
H10	2.5589	3.8230	2.1040	3.4394	1.0970	2.1786	4.1885	3.7909	3.7909		1.7857	1.7857
H11	3.2095	4.3230	2.1241	2.8162	1.0998	3.3530	3.7828	3.2051	2.6592	1.7857		1.7881
H12	3.2095	4.3230	2.1241	2.8162	1.0998	3.3530	3.7828	2.6592	3.2051	1.7857	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.309	C1	N3	C5	121.655
O2	C1	N3	125.365	O2	C1	H6	121.710
N3	C1	H6	112.925	N3	C4	H7	107.704
N3	C4	H8	110.374	N3	C4	H9	110.374
N3	C5	H10	109.219	N3	C5	H11	110.652
N3	C5	H12	110.652	C4	N3	C5	118.036
H7	C4	H8	109.676	H7	C4	H9	109.676
H8	C4	H9	109.021	H10	C5	H11	108.752
H10	C5	H12	108.752	H11	C5	H12	108.768

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)