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	hartrees
Energy at 0K	-302.556529
Energy at 298.15K	-302.566351
HF Energy	-301.900601
Nuclear repulsion energy	244.303818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3495	20.25
2	A	3134	3020	11.21
3	A	3076	2964	12.20
4	A	3006	2897	1.96
5	A	1685	1623	155.98
6	A	1575	1518	32.03
7	A	1548	1491	2.45
8	A	1531	1476	17.97
9	A	1486	1432	31.76
10	A	1208	1164	0.26
11	A	1185	1142	1.72
12	A	1176	1133	11.51
13	A	918	884	1.64
14	A	503	485	15.40
15	A	370	357	81.39
16	A	233	225	2.41
17	A	176	169	0.09
18	A	62	60	0.02
19	B	3622	3490	9.23
20	B	3134	3020	6.13
21	B	3077	2965	66.81
22	B	3005	2896	114.67
23	B	1605	1547	342.85
24	B	1564	1507	15.18
25	B	1538	1482	79.10
26	B	1496	1441	9.86
27	B	1317	1269	252.84
28	B	1187	1144	8.60
29	B	1178	1135	26.92
30	B	1038	1000	2.45
31	B	723	697	77.84
32	B	711	685	2.53
33	B	488	471	243.03
34	B	337	325	44.95
35	B	125	120	13.18
36	B	67	64	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.087
O2	0.000	0.000	1.354
N3	0.018	1.172	-0.664
N4	-0.018	-1.172	-0.664
C5	0.000	2.483	0.009
C6	0.000	-2.483	0.009
H7	-0.283	1.133	-1.630
H8	0.283	-1.133	-1.630
H9	0.434	3.236	-0.667
H10	-0.434	-3.236	-0.667
H11	0.611	2.413	0.918
H12	-0.611	-2.413	0.918
H13	-1.018	2.796	0.299
H14	1.018	-2.796	0.299

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2671	1.3918	1.3918	2.4841	2.4841	2.0769	2.0769	3.3505	3.3505	2.6239	2.6239	2.9836	2.9836
O2	1.2671		2.3336	2.3336	2.8239	2.8239	3.2048	3.2048	3.8395	3.8395	2.5267	2.5267	3.1573	3.1573
N3	1.3918	2.3336		2.3434	1.4740	3.7159	1.0126	2.5132	2.1055	4.4303	2.0964	3.9680	2.1547	4.2039
N4	1.3918	2.3336	2.3434		3.7159	1.4740	2.5132	1.0126	4.4303	2.1055	3.9680	2.0964	4.2039	2.1547
C5	2.4841	2.8239	1.4740	3.7159		4.9657	2.1418	3.9804	1.1005	5.7746	1.0976	5.0166	1.1045	5.3844
C6	2.4841	2.8239	3.7159	1.4740	4.9657		3.9804	2.1418	5.7746	1.1005	5.0166	1.0976	5.3844	1.1045
H7	2.0769	3.2048	1.0126	2.5132	2.1418	3.9804		2.3362	2.4208	4.4765	2.9880	4.3790	2.6516	4.5672
H8	2.0769	3.2048	2.5132	1.0126	3.9804	2.1418	2.3362		4.4765	2.4208	4.3790	2.9880	4.5672	2.6516
H9	3.3505	3.8395	2.1055	4.4303	1.1005	5.7746	2.4208	4.4765		6.5291	1.7946	5.9587	1.7987	6.1368
H10	3.3505	3.8395	4.4303	2.1055	5.7746	1.1005	4.4765	2.4208	6.5291		5.9587	1.7946	6.1368	1.7987
H11	2.6239	2.5267	2.0964	3.9680	1.0976	5.0166	2.9880	4.3790	1.7946	5.9587		4.9776	1.7844	5.2614
H12	2.6239	2.5267	3.9680	2.0964	5.0166	1.0976	4.3790	2.9880	5.9587	1.7946	4.9776		5.2614	1.7844
H13	2.9836	3.1573	2.1547	4.2039	1.1045	5.3844	2.6516	4.5672	1.7987	6.1368	1.7844	5.2614		5.9520
H14	2.9836	3.1573	4.2039	2.1547	5.3844	1.1045	4.5672	2.6516	6.1368	1.7987	5.2614	1.7844	5.9520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	120.156	C1	N3	H7	118.645
C1	N4	C6	120.156	C1	N4	H8	118.645
O2	C1	N3	122.662	O2	C1	N4	122.662
N3	C1	N4	114.676	N3	C5	H9	108.872
N3	C5	H11	108.326	N3	C5	H13	112.577
N4	C6	H10	108.872	N4	C6	H12	108.326
N4	C6	H14	112.577	C5	N3	H7	117.739
C6	N4	H8	117.739	H9	C5	H11	109.452
H9	C5	H13	109.321	H10	C6	H12	109.452
H10	C6	H14	109.321	H11	C5	H13	108.251
H12	C6	H14	108.251

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

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 NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)