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	hartrees
Energy at 0K	-247.816059
Energy at 298.15K	-247.824406
HF Energy	-247.000099
Nuclear repulsion energy	181.348447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3054	1.39
2	A'	3201	3014	20.97
3	A'	3096	2915	53.70
4	A'	3088	2907	48.05
5	A'	3051	2873	88.59
6	A'	1814	1707	405.24
7	A'	1595	1502	13.90
8	A'	1567	1475	12.43
9	A'	1520	1431	10.12
10	A'	1489	1402	57.53
11	A'	1483	1396	9.55
12	A'	1465	1379	70.03
13	A'	1333	1255	40.07
14	A'	1131	1064	114.13
15	A'	1115	1049	2.50
16	A'	900	847	2.66
17	A'	669	630	7.36
18	A'	398	375	1.30
19	A'	330	311	12.30
20	A"	3159	2973	22.88
21	A"	3152	2967	52.28
22	A"	1558	1466	11.02
23	A"	1535	1445	2.90
24	A"	1210	1139	5.36
25	A"	1162	1094	0.02
26	A"	1042	981	1.09
27	A"	330	311	20.24
28	A"	226	213	2.42
29	A"	164	154	0.48
30	A"	85	80	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.701	-0.821	0.000
O2	0.212	-1.944	0.000
N3	0.000	0.349	0.000
C4	-1.452	0.329	0.000
C5	0.660	1.638	0.000
H6	1.789	-0.650	0.000
H7	-1.773	-0.708	0.000
H8	-1.841	0.834	0.888
H9	-1.841	0.834	-0.888
H10	1.739	1.495	0.000
H11	0.385	2.216	-0.886
H12	0.385	2.216	0.886

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2242	1.3642	2.4412	2.4602	1.1013	2.4771	3.1605	3.1605	2.5387	3.1797	3.1797
O2	1.2242		2.3022	2.8168	3.6099	2.0395	2.3385	3.5660	3.5660	3.7629	4.2564	4.2564
N3	1.3642	2.3022		1.4519	1.4486	2.0493	2.0642	2.1002	2.1002	2.0834	2.1024	2.1024
C4	2.4412	2.8168	1.4519		2.4846	3.3858	1.0858	1.0925	1.0925	3.3977	2.7787	2.7787
C5	2.4602	3.6099	1.4486	2.4846		2.5523	3.3802	2.7726	2.7726	1.0891	1.0929	1.0929
H6	1.1013	2.0395	2.0493	3.3858	2.5523		3.5630	4.0207	4.0207	2.1463	3.3124	3.3124
H7	2.4771	2.3385	2.0642	1.0858	3.3802	3.5630		1.7803	1.7803	4.1466	3.7409	3.7409
H8	3.1605	3.5660	2.1002	1.0925	2.7726	4.0207	1.7803		1.7750	3.7473	3.1642	2.6201
H9	3.1605	3.5660	2.1002	1.0925	2.7726	4.0207	1.7803	1.7750		3.7473	2.6201	3.1642
H10	2.5387	3.7629	2.0834	3.3977	1.0891	2.1463	4.1466	3.7473	3.7473		1.7716	1.7716
H11	3.1797	4.2564	2.1024	2.7787	1.0929	3.3124	3.7409	3.1642	2.6201	1.7716		1.7729
H12	3.1797	4.2564	2.1024	2.7787	1.0929	3.3124	3.7409	2.6201	3.1642	1.7716	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.158	C1	N3	C5	121.969
O2	C1	N3	125.515	O2	C1	H6	122.483
N3	C1	H6	112.002	N3	C4	H7	107.998
N3	C4	H8	110.461	N3	C4	H9	110.461
N3	C5	H10	109.547	N3	C5	H11	110.854
N3	C5	H12	110.854	C4	N3	C5	117.873
H7	C4	H8	109.630	H7	C4	H9	109.630
H8	C4	H9	108.651	H10	C5	H11	108.561
H10	C5	H12	108.561	H11	C5	H12	108.399

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)