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	hartrees
Energy at 0K	-247.816840
Energy at 298.15K	-247.825163
HF Energy	-247.008669
Nuclear repulsion energy	180.988088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3070	0.87
2	A'	3169	3031	17.44
3	A'	3054	2922	55.10
4	A'	3046	2914	51.00
5	A'	3007	2876	92.77
6	A'	1856	1775	476.61
7	A'	1558	1491	45.93
8	A'	1513	1447	16.39
9	A'	1478	1414	6.48
10	A'	1469	1405	68.00
11	A'	1441	1379	41.55
12	A'	1439	1377	23.86
13	A'	1335	1277	36.48
14	A'	1114	1066	113.44
15	A'	1091	1044	4.27
16	A'	900	861	3.79
17	A'	672	643	6.71
18	A'	392	375	1.21
19	A'	328	314	11.10
20	A"	3119	2984	22.02
21	A"	3109	2975	53.16
22	A"	1502	1437	12.17
23	A"	1479	1415	3.59
24	A"	1185	1134	4.11
25	A"	1138	1088	0.03
26	A"	1047	1002	0.46
27	A"	326	312	16.26
28	A"	223	213	2.42
29	A"	164	157	0.46
30	A"	80	76	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.694	-0.832	0.000
O2	0.204	-1.943	0.000
N3	0.000	0.347	0.000
C4	-1.453	0.342	0.000
C5	0.672	1.630	0.000
H6	1.797	-0.657	0.000
H7	-1.791	-0.704	0.000
H8	-1.847	0.855	0.898
H9	-1.847	0.855	-0.898
H10	1.764	1.476	0.000
H11	0.404	2.222	-0.896
H12	0.404	2.222	0.896

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2144	1.3680	2.4466	2.4620	1.1167	2.4880	3.1789	3.1789	2.5439	3.1958	3.1958
O2	1.2144		2.2996	2.8229	3.6039	2.0469	2.3487	3.5838	3.5838	3.7582	4.2653	4.2653
N3	1.3680	2.2996		1.4529	1.4485	2.0583	2.0767	2.1152	2.1152	2.0944	2.1170	2.1170
C4	2.4466	2.8229	1.4529		2.4853	3.3997	1.0993	1.1066	1.1066	3.4111	2.7905	2.7905
C5	2.4620	3.6039	1.4485	2.4853		2.5486	3.3937	2.7843	2.7843	1.1025	1.1071	1.1071
H6	1.1167	2.0469	2.0583	3.3997	2.5486		3.5879	4.0455	4.0455	2.1334	3.3215	3.3215
H7	2.4880	2.3487	2.0767	1.0993	3.3937	3.5879		1.8002	1.8002	4.1703	3.7662	3.7662
H8	3.1789	3.5838	2.1152	1.1066	2.7843	4.0455	1.8002		1.7959	3.7721	3.1864	2.6332
H9	3.1789	3.5838	2.1152	1.1066	2.7843	4.0455	1.8002	1.7959		3.7721	2.6332	3.1864
H10	2.5439	3.7582	2.0944	3.4111	1.1025	2.1334	4.1703	3.7721	3.7721		1.7916	1.7916
H11	3.1958	4.2653	2.1170	2.7905	1.1071	3.3215	3.7662	3.1864	2.6332	1.7916		1.7926
H12	3.1958	4.2653	2.1170	2.7905	1.1071	3.3215	3.7662	2.6332	3.1864	1.7916	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.265	C1	N3	C5	121.863
O2	C1	N3	125.760	O2	C1	H6	122.764
N3	C1	H6	111.475	N3	C4	H7	108.115
N3	C4	H8	110.730	N3	C4	H9	110.730
N3	C5	H10	109.629	N3	C5	H11	111.161
N3	C5	H12	111.161	C4	N3	C5	117.872
H7	C4	H8	109.389	H7	C4	H9	109.389
H8	C4	H9	108.470	H10	C5	H11	108.346
H10	C5	H12	108.346	H11	C5	H12	108.106

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)