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	hartrees
Energy at 0K	-300.015767
Energy at 298.15K	-300.025210
HF Energy	-300.015767
Nuclear repulsion energy	240.093990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3603	3603	0.54
2	A	3481	3481	0.07
3	A	3436	3436	0.86
4	A	3281	3281	0.31
5	A	1889	1889	62.15
6	A	1680	1680	4.18
7	A	1659	1659	0.01
8	A	1558	1558	4.32
9	A	1529	1529	0.68
10	A	1227	1227	5.06
11	A	1194	1194	1.53
12	A	1156	1156	3.57
13	A	929	929	3.08
14	A	624	624	121.36
15	A	437	437	3.99
16	A	218	218	0.11
17	A	165	165	4.19
18	A	94	94	0.95
19	B	3603	3603	2.74
20	B	3481	3481	0.27
21	B	3436	3436	8.19
22	B	3281	3281	22.47
23	B	1681	1681	0.43
24	B	1658	1658	18.93
25	B	1562	1562	0.44
26	B	1546	1546	77.55
27	B	1230	1230	215.84
28	B	1177	1177	79.69
29	B	1175	1175	7.93
30	B	1077	1077	24.61
31	B	777	777	54.97
32	B	635	635	12.65
33	B	491	491	50.01
34	B	263	263	27.80
35	B	109	109	1.78
36	B	95	95	1.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.144
O2	0.000	0.000	1.397
N3	0.000	1.207	-0.706
N4	0.000	-1.207	-0.706
C5	-0.532	2.427	-0.005
C6	0.532	-2.427	-0.005
H7	-0.557	1.024	-1.585
H8	0.557	-1.024	-1.585
H9	-0.248	3.327	-0.580
H10	0.248	-3.327	-0.580
H11	-0.064	2.466	0.994
H12	0.064	-2.466	0.994
H13	-1.635	2.413	0.122
H14	1.635	-2.413	0.122

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2530	1.4763	1.4763	2.4892	2.4892	2.0855	2.0855	3.4140	3.4140	2.6095	2.6095	2.9150	2.9150
O2	1.2530		2.4250	2.4250	2.8529	2.8529	3.2021	3.2021	3.8782	3.8782	2.4998	2.4998	3.1816	3.1816
N3	1.4763	2.4250		2.4135	1.5049	3.7390	1.0566	2.4613	2.1385	4.5424	2.1172	4.0481	2.1942	4.0576
N4	1.4763	2.4250	2.4135		3.7390	1.5049	2.4613	1.0566	4.5424	2.1385	4.0481	2.1172	4.0576	2.1942
C5	2.4892	2.8529	1.5049	3.7390		4.9695	2.1138	3.9488	1.1054	5.8353	1.1039	5.0297	1.1097	5.3049
C6	2.4892	2.8529	3.7390	1.5049	4.9695		3.9488	2.1138	5.8353	1.1054	5.0297	1.1039	5.3049	1.1097
H7	2.0855	3.2021	1.0566	2.4613	2.1138	3.9488		2.3310	2.5320	4.5375	2.9963	4.3841	2.4510	4.4196
H8	2.0855	3.2021	2.4613	1.0566	3.9488	2.1138	2.3310		4.5375	2.5320	4.3841	2.9963	4.4196	2.4510
H9	3.4140	3.8782	2.1385	4.5424	1.1054	5.8353	2.5320	4.5375		6.6726	1.8038	6.0116	1.8027	6.0821
H10	3.4140	3.8782	4.5424	2.1385	5.8353	1.1054	4.5375	2.5320	6.6726		6.0116	1.8038	6.0821	1.8027
H11	2.6095	2.4998	2.1172	4.0481	1.1039	5.0297	2.9963	4.3841	1.8038	6.0116		4.9342	1.7973	5.2400
H12	2.6095	2.4998	4.0481	2.1172	5.0297	1.1039	4.3841	2.9963	6.0116	1.8038	4.9342		5.2400	1.7973
H13	2.9150	3.1816	2.1942	4.0576	1.1097	5.3049	2.4510	4.4196	1.8027	6.0821	1.7973	5.2400		5.8298
H14	2.9150	3.1816	4.0576	2.1942	5.3049	1.1097	4.4196	2.4510	6.0821	1.8027	5.2400	1.7973	5.8298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	113.217	C1	N3	H7	109.731
C1	N4	C6	113.217	C1	N4	H8	109.731
O2	C1	N3	125.175	O2	C1	N4	125.175
N3	C1	N4	109.650	N3	C5	H9	109.064
N3	C5	H11	107.498	N3	C5	H13	113.246
N4	C6	H10	109.064	N4	C6	H12	107.498
N4	C6	H14	113.246	C5	N3	H7	109.984
C6	N4	H8	109.984	H9	C5	H11	109.461
H9	C5	H13	108.946	H10	C6	H12	109.461
H10	C6	H14	108.946	H11	C5	H13	108.568
H12	C6	H14	108.568

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

using model chemistry: TPSSh/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	0.246
2	O	-0.226
3	N	-0.300
4	N	-0.300
5	C	-0.126
6	C	-0.126
7	H	0.173
8	H	0.173
9	H	0.079
10	H	0.079
11	H	0.094
12	H	0.094
13	H	0.070
14	H	0.070

	x	y	z
x	2.437	-0.595	0.000
y	-0.595	6.057	0.000
z	0.000	0.000	4.638

<r²>	199.590
(<r²>)^1/2	14.128

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

using model chemistry: TPSSh/STO-3G

States and conformations

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