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	hartrees
Energy at 0K	-263.115810
Energy at 298.15K	-263.123969
Nuclear repulsion energy	182.317766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3695	3620	47.09
2	A	3599	3526	46.76
3	A	3550	3478	25.46
4	A	3099	3036	7.44
5	A	2987	2926	42.32
6	A	2934	2874	50.04
7	A	1753	1717	375.90
8	A	1603	1570	230.33
9	A	1511	1481	172.11
10	A	1497	1467	11.93
11	A	1466	1436	13.10
12	A	1417	1389	15.34
13	A	1413	1384	20.92
14	A	1206	1181	6.88
15	A	1134	1111	1.90
16	A	1129	1106	21.85
17	A	1054	1032	6.47
18	A	906	888	5.62
19	A	772	756	137.61
20	A	573	561	9.79
21	A	569	557	207.94
22	A	522	512	0.00
23	A	518	507	8.99
24	A	424	416	189.35
25	A	290	284	4.66
26	A	147	144	0.04
27	A	121	119	3.56

Atom	x (Å)	y (Å)	z (Å)
C1	-1.864	0.020	-0.000
H2	-1.984	0.660	-0.899
H3	-2.697	-0.698	-0.001
H4	-1.985	0.659	0.899
H5	-0.590	-1.704	0.000
N6	-0.615	-0.688	0.000
C7	0.623	-0.097	0.000
H8	-0.236	1.833	0.000
H9	1.515	1.733	-0.000
N10	0.611	1.273	0.000
O11	1.681	-0.765	-0.000

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1100	1.1005	1.1100	2.1432	1.4350	2.4893	2.4359	3.7878	2.7736	3.6305
H2	1.1100		1.7778	1.7981	2.8877	2.1209	2.8596	2.2886	3.7683	2.8136	4.0336
H3	1.1005	1.7778		1.7778	2.3349	2.0823	3.3744	3.5302	4.8635	3.8510	4.3792
H4	1.1100	1.7981	1.7778		2.8876	2.1210	2.8604	2.2897	3.7697	2.8149	4.0345
H5	2.1432	2.8877	2.3349	2.8876		1.0166	2.0135	3.5542	4.0302	3.2101	2.4581
N6	1.4350	2.1209	2.0823	2.1210	1.0166		1.3719	2.5485	3.2242	2.3124	2.2977
C7	2.4893	2.8596	3.3744	2.8604	2.0135	1.3719		2.1122	2.0355	1.3699	1.2512
H8	2.4359	2.2886	3.5302	2.2897	3.5542	2.5485	2.1122		1.7540	1.0153	3.2282
H9	3.7878	3.7683	4.8635	3.7697	4.0302	3.2242	2.0355	1.7540		1.0142	2.5027
N10	2.7736	2.8136	3.8510	2.8149	3.2101	2.3124	1.3699	1.0153	1.0142		2.3015
O11	3.6305	4.0336	4.3792	4.0345	2.4581	2.2977	1.2512	3.2282	2.5027	2.3015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	120.952	C1	N6	C7	124.949
H2	C1	H3	107.069	H2	C1	H4	108.186
H2	C1	N6	112.262	H3	C1	H4	107.073
H3	C1	N6	109.717	H4	C1	N6	112.270
H5	N6	C7	114.099	N6	C7	N10	114.998
N6	C7	O11	122.251	C7	N10	H8	123.956
C7	N10	H9	116.451	H8	N10	H9	119.594
N10	C7	O11	122.751

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

using model chemistry: LSDA/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	-0.380
2	H	0.184
3	H	0.194
4	H	0.184
5	H	0.349
6	N	-0.581
7	C	0.535
8	H	0.329
9	H	0.352
10	N	-0.739
11	O	-0.426

	x	y	z	Total
	-4.057	2.253	-0.000	4.641
CHELPG
AIM
ESP

	x	y	z
x	7.143	-0.195	-0.000
y	-0.195	6.066	0.000
z	-0.000	0.000	3.117

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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