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	hartrees
Energy at 0K	-264.520252
Energy at 298.15K	-264.528218
HF Energy	-264.520252
Nuclear repulsion energy	182.192332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3590	29.29
2	A	3590	3544	33.64
3	A	3518	3472	10.60
4	A	3068	3028	17.66
5	A	2989	2950	39.17
6	A	2946	2908	57.58
7	A	1726	1703	485.67
8	A	1593	1573	113.38
9	A	1493	1473	32.53
10	A	1463	1444	8.46
11	A	1454	1435	40.38
12	A	1415	1396	12.87
13	A	1363	1345	185.11
14	A	1174	1159	1.37
15	A	1129	1115	4.21
16	A	1106	1092	32.25
17	A	1046	1033	36.58
18	A	863	852	4.44
19	A	745	736	27.13
20	A	577	569	27.79
21	A	540	532	60.42
22	A	504	498	78.04
23	A	462	456	20.80
24	A	370	365	120.45
25	A	276	272	4.26
26	A	153	151	1.69
27	A	94	93	4.99

Atom	x (Å)	y (Å)	z (Å)
C1	-1.884	0.050	0.065
H2	-2.067	0.771	-0.742
H3	-2.703	-0.672	0.043
H4	-1.919	0.583	1.024
H5	-0.629	-1.664	-0.023
N6	-0.632	-0.661	-0.128
C7	0.628	-0.113	-0.016
H8	-0.083	1.814	-0.360
H9	1.590	1.652	-0.095
N10	0.665	1.275	0.052
O11	1.639	-0.801	0.049

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0980	1.0917	1.0979	2.1261	1.4529	2.5185	2.5570	3.8295	2.8289	3.6246
H2	1.0980		1.7615	1.7830	2.9177	2.1182	2.9274	2.2739	3.8172	2.8897	4.1024
H3	1.0917	1.7615		1.7758	2.3004	2.0785	3.3780	3.6343	4.8840	3.8909	4.3442
H4	1.0979	1.7830	1.7758		2.7944	2.1288	2.8373	2.6083	3.8352	2.8465	3.9401
H5	2.1261	2.9177	2.3004	2.7944		1.0083	1.9959	3.5363	3.9905	3.2123	2.4274
N6	1.4529	2.1182	2.0785	2.1288	1.0083		1.3782	2.5456	3.2076	2.3376	2.2821
C7	2.5185	2.9274	3.3780	2.8373	1.9959	1.3782		2.0823	2.0120	1.3904	1.2248
H8	2.5570	2.2739	3.6343	2.6083	3.5363	2.5456	2.0823		1.7017	1.0098	3.1574
H9	3.8295	3.8172	4.8840	3.8352	3.9905	3.2076	2.0120	1.7017		1.0094	2.4577
N10	2.8289	2.8897	3.8909	2.8465	3.2123	2.3376	1.3904	1.0098	1.0094		2.2932
O11	3.6246	4.1024	4.3442	3.9401	2.4274	2.2821	1.2248	3.1574	2.4577	2.2932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.343	C1	N6	C7	124.772
H2	C1	H3	106.948	H2	C1	H4	108.478
H2	C1	N6	111.415	H3	C1	H4	108.639
H3	C1	N6	108.699	H4	C1	N6	112.479
H5	N6	C7	111.642	N6	C7	N10	115.509
N6	C7	O11	122.221	C7	N10	H8	118.391
C7	N10	H9	112.343	H8	N10	H9	113.946
N10	C7	O11	122.266

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.005
2	H	0.111
3	H	0.112
4	H	0.123
5	H	0.182
6	N	-0.773
7	C	1.362
8	H	0.178
9	H	0.183
10	N	-0.680
11	O	-0.792

	x	y	z	Total
	-3.658	2.003	-0.562	4.208
CHELPG
AIM
ESP

	x	y	z
x	8.973	-0.171	0.055
y	-0.171	7.710	0.035
z	0.055	0.035	5.469

<r²>	119.983
(<r²>)^1/2	10.954

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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