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	hartrees
Energy at 0K	-247.826608
Energy at 298.15K	-247.834925
HF Energy	-247.007967
Nuclear repulsion energy	180.689904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3067	1.09
2	A'	3156	3028	18.60
3	A'	3046	2922	59.49
4	A'	3037	2914	52.31
5	A'	2993	2872	98.90
6	A'	1811	1738	427.21
7	A'	1549	1486	30.70
8	A'	1508	1447	15.90
9	A'	1470	1410	8.21
10	A'	1458	1398	67.60
11	A'	1434	1376	3.32
12	A'	1431	1372	56.16
13	A'	1326	1272	34.91
14	A'	1108	1063	109.01
15	A'	1087	1043	4.71
16	A'	893	857	2.94
17	A'	665	638	6.77
18	A'	389	374	1.21
19	A'	325	312	11.11
20	A"	3109	2983	23.04
21	A"	3099	2973	54.81
22	A"	1500	1439	11.55
23	A"	1477	1417	3.51
24	A"	1181	1133	4.13
25	A"	1134	1088	0.04
26	A"	1034	992	0.39
27	A"	326	312	15.63
28	A"	222	213	2.33
29	A"	167	161	0.40
30	A"	84	81	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.696	-0.831	0.000
O2	0.203	-1.948	0.000
N3	0.000	0.350	0.000
C4	-1.454	0.341	0.000
C5	0.673	1.634	0.000
H6	1.799	-0.654	0.000
H7	-1.787	-0.707	0.000
H8	-1.849	0.853	0.898
H9	-1.849	0.853	-0.898
H10	1.765	1.478	0.000
H11	0.404	2.226	-0.897
H12	0.404	2.226	0.897

	C1	O2	N3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.2200	1.3707	2.4490	2.4656	1.1173	2.4859	3.1813	3.1813	2.5450	3.1992	3.1992
O2	1.2200		2.3064	2.8262	3.6124	2.0540	2.3455	3.5870	3.5870	3.7649	4.2734	4.2734
N3	1.3707	2.3064		1.4544	1.4500	2.0600	2.0762	2.1164	2.1164	2.0948	2.1182	2.1182
C4	2.4490	2.8262	1.4544		2.4893	3.4021	1.1000	1.1070	1.1070	3.4141	2.7945	2.7945
C5	2.4656	3.6124	1.4500	2.4893		2.5503	3.3960	2.7884	2.7884	1.1031	1.1075	1.1075
H6	1.1173	2.0540	2.0600	3.4021	2.5503		3.5864	4.0480	4.0480	2.1326	3.3231	3.3231
H7	2.4859	2.3455	2.0762	1.1000	3.3960	3.5864		1.8020	1.8020	4.1704	3.7692	3.7692
H8	3.1813	3.5870	2.1164	1.1070	2.7884	4.0480	1.8020		1.7970	3.7757	3.1907	2.6378
H9	3.1813	3.5870	2.1164	1.1070	2.7884	4.0480	1.8020	1.7970		3.7757	2.6378	3.1907
H10	2.5450	3.7649	2.0948	3.4141	1.1031	2.1326	4.1704	3.7757	3.7757		1.7930	1.7930
H11	3.1992	4.2734	2.1182	2.7945	1.1075	3.3231	3.7692	3.1907	2.6378	1.7930		1.7936
H12	3.1992	4.2734	2.1182	2.7945	1.1075	3.3231	3.7692	2.6378	3.1907	1.7930	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C4	120.167	C1	N3	C5	121.852
O2	C1	N3	125.705	O2	C1	H6	122.922
N3	C1	H6	111.373	N3	C4	H7	107.942
N3	C4	H8	110.708	N3	C4	H9	110.708
N3	C5	H10	109.524	N3	C5	H11	111.134
N3	C5	H12	111.134	C4	N3	C5	117.981
H7	C4	H8	109.474	H7	C4	H9	109.474
H8	C4	H9	108.519	H10	C5	H11	108.407
H10	C5	H12	108.407	H11	C5	H12	108.150

All results from a given calculation for C₃H₇NO (dimethylformamide)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₇NO (dimethylformamide)