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	hartrees
Energy at 0K	-247.758974
Energy at 298.15K	-247.767305
HF Energy	-246.988215
Nuclear repulsion energy	181.080824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3051	0.93
2	A'	3157	3007	19.47
3	A'	3059	2913	49.77
4	A'	3050	2905	44.29
5	A'	3015	2871	84.65
6	A'	1809	1723	407.60
7	A'	1585	1510	19.71
8	A'	1555	1481	13.17
9	A'	1514	1441	7.00
10	A'	1483	1413	60.12
11	A'	1477	1406	12.67
12	A'	1460	1390	59.05
13	A'	1328	1265	39.23
14	A'	1127	1073	116.92
15	A'	1110	1057	2.43
16	A'	900	857	2.33
17	A'	670	638	7.45
18	A'	400	381	1.34
19	A'	332	316	12.13
20	A"	3115	2967	20.25
21	A"	3109	2960	49.41
22	A"	1548	1474	14.30
23	A"	1526	1453	3.49
24	A"	1203	1146	3.81
25	A"	1156	1100	0.03
26	A"	1035	986	0.75
27	A"	330	314	21.24
28	A"	228	218	2.58
29	A"	165	157	0.48
30	A"	84	80	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	-0.821	0.000
O2	0.215	-1.945	0.000
N3	0.000	0.348	0.000
C4	-1.453	0.328	0.000
C5	0.658	1.640	0.000
H6	1.797	-0.654	0.000
H7	-1.777	-0.715	0.000
H8	-1.844	0.835	0.893
H9	-1.844	0.835	-0.893
H10	1.744	1.500	0.000
H11	0.380	2.220	-0.891
H12	0.380	2.220	0.891

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2249	1.3642	2.4425	2.4619	1.1069	2.4812	3.1659	3.1659	2.5441	3.1853	3.1853
O2	1.2249		2.3032	2.8189	3.6125	2.0419	2.3407	3.5724	3.5724	3.7690	4.2622	4.2622
N3	1.3642	2.3032		1.4531	1.4499	2.0570	2.0702	2.1055	2.1055	2.0900	2.1076	2.1076
C4	2.4425	2.8189	1.4531		2.4858	3.3945	1.0915	1.0985	1.0985	3.4052	2.7813	2.7813
C5	2.4619	3.6125	1.4499	2.4858		2.5609	3.3872	2.7757	2.7757	1.0952	1.0989	1.0989
H6	1.1069	2.0419	2.0570	3.3945	2.5609		3.5736	4.0330	4.0330	2.1541	3.3251	3.3251
H7	2.4812	2.3407	2.0702	1.0915	3.3872	3.5736		1.7896	1.7896	4.1592	3.7494	3.7494
H8	3.1659	3.5724	2.1055	1.0985	2.7757	4.0330	1.7896		1.7852	3.7566	3.1698	2.6201
H9	3.1659	3.5724	2.1055	1.0985	2.7757	4.0330	1.7896	1.7852		3.7566	2.6201	3.1698
H10	2.5441	3.7690	2.0900	3.4052	1.0952	2.1541	4.1592	3.7566	3.7566		1.7812	1.7812
H11	3.1853	4.2622	2.1076	2.7813	1.0989	3.3251	3.7494	3.1698	2.6201	1.7812		1.7829
H12	3.1853	4.2622	2.1076	2.7813	1.0989	3.3251	3.7494	2.6201	3.1698	1.7812	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.180	C1	N3	C5	122.021
O2	C1	N3	125.554	O2	C1	H6	122.165
N3	C1	H6	112.281	N3	C4	H7	108.050
N3	C4	H8	110.441	N3	C4	H9	110.441
N3	C5	H10	109.622	N3	C5	H11	110.809
N3	C5	H12	110.809	C4	N3	C5	117.798
H7	C4	H8	109.604	H7	C4	H9	109.604
H8	C4	H9	108.690	H10	C5	H11	108.552
H10	C5	H12	108.552	H11	C5	H12	108.433

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)