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	hartrees
Energy at 0K	-247.845224
Energy at 298.15K	-247.853493
HF Energy	-247.043648
Nuclear repulsion energy	181.627665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3045	1.17
2	A'	3147	3006	19.48
3	A'	3041	2904	51.42
4	A'	3033	2897	48.02
5	A'	2999	2864	86.27
6	A'	1842	1759	497.77
7	A'	1576	1505	39.84
8	A'	1538	1469	14.85
9	A'	1508	1441	6.09
10	A'	1482	1416	58.59
11	A'	1473	1407	8.48
12	A'	1449	1384	68.90
13	A'	1329	1270	40.08
14	A'	1122	1072	124.01
15	A'	1105	1056	4.71
16	A'	901	861	4.01
17	A'	676	645	7.37
18	A'	400	382	1.31
19	A'	330	315	11.19
20	A"	3099	2960	19.93
21	A"	3091	2952	55.43
22	A"	1532	1463	18.47
23	A"	1511	1443	3.65
24	A"	1195	1142	3.45
25	A"	1149	1097	0.05
26	A"	1045	998	0.19
27	A"	326	311	20.46
28	A"	225	215	2.87
29	A"	152	145	0.48
30	A"	55	53	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.695	-0.826	0.000
O2	0.214	-1.936	0.000
N3	0.000	0.344	0.000
C4	-1.451	0.335	0.000
C5	0.663	1.631	0.000
H6	1.790	-0.663	0.000
H7	-1.789	-0.701	0.000
H8	-1.840	0.844	0.891
H9	-1.840	0.844	-0.891
H10	1.747	1.491	0.000
H11	0.389	2.213	-0.890
H12	0.389	2.213	0.890

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2100	1.3615	2.4406	2.4578	1.1069	2.4880	3.1639	3.1639	2.5443	3.1816	3.1816
O2	1.2100		2.2906	2.8164	3.5957	2.0263	2.3536	3.5694	3.5694	3.7542	4.2472	4.2472
N3	1.3615	2.2906		1.4513	1.4477	2.0540	2.0723	2.1044	2.1044	2.0896	2.1061	2.1061
C4	2.4406	2.8164	1.4513		2.4798	3.3915	1.0899	1.0974	1.0974	3.4006	2.7761	2.7761
C5	2.4578	3.5957	1.4477	2.4798		2.5562	3.3842	2.7708	2.7708	1.0934	1.0978	1.0978
H6	1.1069	2.0263	2.0540	3.3915	2.5562		3.5798	4.0299	4.0299	2.1539	3.3203	3.3203
H7	2.4880	2.3536	2.0723	1.0899	3.3842	3.5798		1.7842	1.7842	4.1605	3.7457	3.7457
H8	3.1639	3.5694	2.1044	1.0974	2.7708	4.0299	1.7842		1.7829	3.7520	3.1650	2.6160
H9	3.1639	3.5694	2.1044	1.0974	2.7708	4.0299	1.7842	1.7829		3.7520	2.6160	3.1650
H10	2.5443	3.7542	2.0896	3.4006	1.0934	2.1539	4.1605	3.7520	3.7520		1.7768	1.7768
H11	3.1816	4.2472	2.1061	2.7761	1.0978	3.3203	3.7457	3.1650	2.6160	1.7768		1.7801
H12	3.1816	4.2472	2.1061	2.7761	1.0978	3.3203	3.7457	2.6160	3.1650	1.7768	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.353	C1	N3	C5	122.039
O2	C1	N3	125.838	O2	C1	H6	121.935
N3	C1	H6	112.227	N3	C4	H7	108.439
N3	C4	H8	110.551	N3	C4	H9	110.551
N3	C5	H10	109.850	N3	C5	H11	110.917
N3	C5	H12	110.917	C4	N3	C5	117.607
H7	C4	H8	109.315	H7	C4	H9	109.315
H8	C4	H9	108.649	H10	C5	H11	108.368
H10	C5	H12	108.368	H11	C5	H12	108.339

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)