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	hartrees
Energy at 0K	-264.269905
Energy at 298.15K	-264.277881
Nuclear repulsion energy	181.398160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3620	3571	25.56
2	A	3574	3525	30.14
3	A	3491	3443	9.27
4	A	3079	3037	13.69
5	A	2996	2955	39.82
6	A	2946	2906	51.26
7	A	1774	1750	359.08
8	A	1578	1557	129.84
9	A	1484	1464	36.76
10	A	1451	1431	43.46
11	A	1447	1427	29.64
12	A	1399	1380	31.80
13	A	1365	1346	99.25
14	A	1171	1155	3.90
15	A	1118	1102	13.86
16	A	1107	1092	14.34
17	A	1046	1031	29.79
18	A	871	859	3.69
19	A	740	730	54.47
20	A	591	583	50.86
21	A	556	548	144.37
22	A	521	514	14.57
23	A	475	468	35.68
24	A	381	376	102.70
25	A	266	263	3.70
26	A	145	143	5.63
27	A	101	99	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.881	0.044	0.089
H2	-2.095	0.797	-0.693
H3	-2.711	-0.677	0.067
H4	-1.890	0.556	1.070
H5	-0.621	-1.666	-0.033
N6	-0.636	-0.660	-0.173
C7	0.629	-0.110	-0.021
H8	-0.062	1.808	-0.445
H9	1.598	1.646	-0.074
N10	0.656	1.284	0.053
O11	1.645	-0.805	0.068

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1064	1.0995	1.1064	2.1287	1.4542	2.5175	2.5901	3.8339	2.8243	3.6271
H2	1.1064		1.7690	1.7917	2.9460	2.1262	2.9487	2.2849	3.8397	2.8919	4.1391
H3	1.0995	1.7690		1.7894	2.3144	2.0880	3.3884	3.6685	4.8971	3.8963	4.3573
H4	1.1064	1.7917	1.7894		2.7866	2.1436	2.8246	2.6842	3.8291	2.8364	3.9176
H5	2.1287	2.9460	2.3144	2.7866		1.0164	1.9957	3.5436	3.9871	3.2160	2.4258
N6	1.4542	2.1262	2.0880	2.1436	1.0164		1.3879	2.5490	3.2126	2.3454	2.2986
C7	2.5175	2.9487	3.3884	2.8246	1.9957	1.3879		2.0826	2.0067	1.3966	1.2339
H8	2.5901	2.2849	3.6685	2.6842	3.5436	2.5490	2.0826		1.7081	1.0185	3.1628
H9	3.8339	3.8397	4.8971	3.8291	3.9871	3.2126	2.0067	1.7081		1.0172	2.4555
N10	2.8243	2.8919	3.8963	2.8364	3.2160	2.3454	1.3966	1.0185	1.0172		2.3111
O11	3.6271	4.1391	4.3573	3.9176	2.4258	2.2986	1.2339	3.1628	2.4555	2.3111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.905	C1	N6	C7	124.674
H2	C1	H3	106.634	H2	C1	H4	108.129
H2	C1	N6	111.543	H3	C1	H4	108.420
H3	C1	N6	108.908	H4	C1	N6	112.970
H5	N6	C7	111.273	N6	C7	N10	114.766
N6	C7	O11	122.387	C7	N10	H8	118.320
C7	N10	H9	111.507	H8	N10	H9	114.088
N10	C7	O11	122.831

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.242
2	H	0.127
3	H	0.139
4	H	0.144
5	H	0.274
6	N	-0.497
7	C	0.617
8	H	0.257
9	H	0.278
10	N	-0.605
11	O	-0.492

	x	y	z	Total
	-3.229	1.826	-0.635	3.763
CHELPG
AIM
ESP

	x	y	z
x	7.416	-0.081	0.160
y	-0.081	6.300	-0.108
z	0.160	-0.108	3.604

<r²>	119.837
(<r²>)^1/2	10.947

All results from a given calculation for C2H6N2O (Urea, methyl-)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)