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	hartrees
Energy at 0K	-247.411840
Energy at 298.15K	-247.420207
HF Energy	-246.870672
Nuclear repulsion energy	178.980974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3025	1.56
2	A'	3110	2984	23.18
3	A'	3021	2898	38.34
4	A'	3011	2889	86.38
5	A'	3006	2885	40.01
6	A'	1717	1647	410.47
7	A'	1585	1521	9.20
8	A'	1563	1500	10.64
9	A'	1516	1454	10.64
10	A'	1494	1433	11.15
11	A'	1457	1398	52.06
12	A'	1453	1394	85.18
13	A'	1293	1241	39.32
14	A'	1123	1077	124.98
15	A'	1106	1061	7.70
16	A'	875	839	2.75
17	A'	660	633	7.94
18	A'	403	387	1.46
19	A'	328	315	12.50
20	A"	3069	2945	25.01
21	A"	3064	2940	53.02
22	A"	1553	1490	15.75
23	A"	1532	1470	4.91
24	A"	1208	1159	6.55
25	A"	1157	1110	0.02
26	A"	1020	979	0.45
27	A"	336	322	33.77
28	A"	230	220	1.38
29	A"	160	154	0.15
30	A"	104	100	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.713	-0.822	0.000
O2	0.217	-1.972	0.000
N3	0.000	0.351	0.000
C4	-1.472	0.332	0.000
C5	0.667	1.661	0.000
H6	1.808	-0.668	0.000
H7	-1.800	-0.715	0.000
H8	-1.864	0.840	0.898
H9	-1.864	0.840	-0.898
H10	1.758	1.517	0.000
H11	0.388	2.241	-0.897
H12	0.388	2.241	0.897

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2526	1.3734	2.4717	2.4834	1.1051	2.5154	3.1956	3.1956	2.5617	3.2080	3.2080
O2	1.2526		2.3336	2.8568	3.6608	2.0569	2.3762	3.6118	3.6118	3.8142	4.3107	4.3107
N3	1.3734	2.3336		1.4726	1.4696	2.0754	2.0921	2.1258	2.1258	2.1094	2.1271	2.1271
C4	2.4717	2.8568	1.4726		2.5190	3.4292	1.0969	1.1035	1.1035	3.4413	2.8128	2.8128
C5	2.4834	3.6608	1.4696	2.5190		2.5933	3.4252	2.8082	2.8082	1.1004	1.1036	1.1036
H6	1.1051	2.0569	2.0754	3.4292	2.5933		3.6077	4.0697	4.0697	2.1855	3.3587	3.3587
H7	2.5154	2.3762	2.0921	1.0969	3.4252	3.6077		1.7971	1.7971	4.2002	3.7855	3.7855
H8	3.1956	3.6118	2.1258	1.1035	2.8082	4.0697	1.7971		1.7952	3.7926	3.2021	2.6523
H9	3.1956	3.6118	2.1258	1.1035	2.8082	4.0697	1.7971	1.7952		3.7926	2.6523	3.2021
H10	2.5617	3.8142	2.1094	3.4413	1.1004	2.1855	4.2002	3.7926	3.7926		1.7901	1.7901
H11	3.2080	4.3107	2.1271	2.8128	1.1036	3.3587	3.7855	3.2021	2.6523	1.7901		1.7931
H12	3.2080	4.3107	2.1271	2.8128	1.1036	3.3587	3.7855	2.6523	3.2021	1.7901	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.526	C1	N3	C5	121.700
O2	C1	N3	125.350	O2	C1	H6	121.361
N3	C1	H6	113.288	N3	C4	H7	108.127
N3	C4	H8	110.396	N3	C4	H9	110.396
N3	C5	H10	109.482	N3	C5	H11	110.702
N3	C5	H12	110.702	C4	N3	C5	117.774
H7	C4	H8	109.520	H7	C4	H9	109.520
H8	C4	H9	108.867	H10	C5	H11	108.622
H10	C5	H12	108.622	H11	C5	H12	108.657

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: CCD/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: CCD/6-31G

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)