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	hartrees
Energy at 0K	-299.856042
Energy at 298.15K	-299.865510
HF Energy	-299.856042
Nuclear repulsion energy	241.205073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3681	3258	0.34
2	A	3498	3096	0.39
3	A	3452	3055	0.80
4	A	3296	2917	0.27
5	A	1917	1697	69.53
6	A	1677	1484	6.21
7	A	1655	1464	0.16
8	A	1561	1382	6.85
9	A	1544	1367	0.33
10	A	1242	1099	3.99
11	A	1212	1072	0.01
12	A	1175	1040	5.37
13	A	940	832	0.71
14	A	607	537	122.37
15	A	445	394	7.48
16	A	215	191	0.50
17	A	170	151	4.03
18	A	90	80	0.80
19	B	3680	3257	3.40
20	B	3498	3096	0.20
21	B	3452	3055	6.71
22	B	3296	2917	24.38
23	B	1678	1485	1.77
24	B	1654	1464	20.47
25	B	1572	1391	66.28
26	B	1560	1381	44.44
27	B	1257	1113	241.84
28	B	1194	1057	33.42
29	B	1183	1047	12.87
30	B	1101	975	24.11
31	B	769	680	52.77
32	B	651	576	16.76
33	B	496	439	62.89
34	B	267	236	30.79
35	B	108	95	3.04
36	B	93	82	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.142
O2	0.000	0.000	1.391
N3	0.000	1.199	-0.698
N4	0.000	-1.199	-0.698
C5	-0.479	2.432	-0.008
C6	0.479	-2.432	-0.008
H7	-0.531	1.033	-1.588
H8	0.531	-1.033	-1.588
H9	-0.152	3.321	-0.575
H10	0.152	-3.321	-0.575
H11	-0.022	2.453	0.995
H12	0.022	-2.453	0.995
H13	-1.580	2.470	0.110
H14	1.580	-2.470	0.110

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2487	1.4638	1.4638	2.4837	2.4837	2.0842	2.0842	3.4005	3.4005	2.5968	2.5968	2.9323	2.9323
O2	1.2487		2.4083	2.4083	2.8465	2.8465	3.1976	3.1976	3.8619	3.8619	2.4846	2.4846	3.1998	3.1998
N3	1.4638	2.4083		2.3976	1.4926	3.7272	1.0498	2.4611	2.1307	4.5236	2.1067	4.0248	2.1828	4.0755
N4	1.4638	2.4083	2.3976		3.7272	1.4926	2.4611	1.0498	4.5236	2.1307	4.0248	2.1067	4.0755	2.1828
C5	2.4837	2.8465	1.4926	3.7272		4.9584	2.1116	3.9408	1.1034	5.8153	1.1019	5.0122	1.1077	5.3187
C6	2.4837	2.8465	3.7272	1.4926	4.9584		3.9408	2.1116	5.8153	1.1034	5.0122	1.1019	5.3187	1.1077
H7	2.0842	3.1976	1.0498	2.4611	2.1116	3.9408		2.3233	2.5302	4.5221	2.9910	4.3739	2.4594	4.4286
H8	2.0842	3.1976	2.4611	1.0498	3.9408	2.1116	2.3233		4.5221	2.5302	4.3739	2.9910	4.4286	2.4594
H9	3.4005	3.8619	2.1307	4.5236	1.1034	5.8153	2.5302	4.5221		6.6481	1.7984	5.9855	1.7975	6.0828
H10	3.4005	3.8619	4.5236	2.1307	5.8153	1.1034	4.5221	2.5302	6.6481		5.9855	1.7984	6.0828	1.7975
H11	2.5968	2.4846	2.1067	4.0248	1.1019	5.0122	2.9910	4.3739	1.7984	5.9855		4.9057	1.7916	5.2521
H12	2.5968	2.4846	4.0248	2.1067	5.0122	1.1019	4.3739	2.9910	5.9855	1.7984	4.9057		5.2521	1.7916
H13	2.9323	3.1998	2.1828	4.0755	1.1077	5.3187	2.4594	4.4286	1.7975	6.0828	1.7916	5.2521		5.8643
H14	2.9323	3.1998	4.0755	2.1828	5.3187	1.1077	4.4286	2.4594	6.0828	1.7975	5.2521	1.7916	5.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	114.303	C1	N3	H7	110.957
C1	N4	C6	114.303	C1	N4	H8	110.957
O2	C1	N3	125.019	O2	C1	N4	125.019
N3	C1	N4	109.961	N3	C5	H9	109.412
N3	C5	H11	107.626	N3	C5	H13	113.333
N4	C6	H10	109.412	N4	C6	H12	107.626
N4	C6	H14	113.333	C5	N3	H7	111.116
C6	N4	H8	111.116	H9	C5	H11	109.274
H9	C5	H13	108.771	H10	C6	H12	109.274
H10	C6	H14	108.771	H11	C5	H13	108.356
H12	C6	H14	108.356

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

using model chemistry: B3PW91/STO-3G

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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Number	Element	Mulliken
1	C	0.258
2	O	-0.237
3	N	-0.311
4	N	-0.311
5	C	-0.154
6	C	-0.154
7	H	0.184
8	H	0.184
9	H	0.088
10	H	0.088
11	H	0.104
12	H	0.104
13	H	0.079
14	H	0.079

	x	y	z
x	2.345	-0.513	0.000
y	-0.513	5.874	0.000
z	0.000	0.000	4.547

<r²>	198.423
(<r²>)^1/2	14.086

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

using model chemistry: B3PW91/STO-3G

States and conformations

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