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	hartrees
Energy at 0K	-259.687886
Energy at 298.15K	-259.695384
Nuclear repulsion energy	178.168118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3774	3380	2.19
2	A	3705	3318	11.25
3	A	3566	3193	4.24
4	A	3446	3085	1.54
5	A	3375	3023	2.22
6	A	3243	2904	10.24
7	A	1915	1715	114.46
8	A	1707	1529	28.74
9	A	1644	1472	15.98
10	A	1606	1438	7.66
11	A	1541	1380	7.03
12	A	1470	1316	14.57
13	A	1385	1240	146.84
14	A	1245	1115	4.64
15	A	1178	1055	4.49
16	A	1164	1042	5.35
17	A	1085	972	23.02
18	A	893	800	3.93
19	A	674	603	51.97
20	A	604	541	39.75
21	A	572	513	197.11
22	A	489	438	9.70
23	A	434	388	74.71
24	A	371	332	65.93
25	A	261	234	4.97
26	A	141	126	8.89
27	A	86	77	1.98

Atom	x (Å)	y (Å)	z (Å)
C1	-1.868	0.006	0.122
H2	-2.143	0.737	-0.665
H3	-2.693	-0.720	0.209
H4	-1.768	0.560	1.078
H5	-0.632	-1.730	0.007
N6	-0.632	-0.713	-0.241
C7	0.661	-0.111	-0.027
H8	-0.188	1.728	-0.577
H9	1.471	1.782	-0.126
N10	0.542	1.331	0.065
O11	1.728	-0.756	0.093

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1085	1.1028	1.1094	2.1340	1.4753	2.5356	2.5047	3.7892	2.7506	3.6755
H2	1.1085		1.7861	1.7917	2.9697	2.1369	2.9977	2.1932	3.7996	2.8450	4.2171
H3	1.1028	1.7861		1.8024	2.3036	2.1094	3.4165	3.5895	4.8688	3.8332	4.4222
H4	1.1094	1.7917	1.8024		2.7711	2.1566	2.7515	2.5693	3.6649	2.6379	3.8631
H5	2.1340	2.9697	2.3036	2.7711		1.0462	2.0716	3.5344	4.0951	3.2787	2.5540
N6	1.4753	2.1369	2.1094	2.1566	1.0462		1.4419	2.5037	3.2649	2.3773	2.3834
C7	2.5356	2.9977	3.4165	2.7515	2.0716	1.4419		2.0988	2.0616	1.4502	1.2524
H8	2.5047	2.1932	3.5895	2.5693	3.5344	2.5037	2.0988		1.7195	1.0501	3.2075
H9	3.7892	3.7996	4.8688	3.6649	4.0951	3.2649	2.0616	1.7195		1.0495	2.5606
N10	2.7506	2.8450	3.8332	2.6379	3.2787	2.3773	1.4502	1.0501	1.0495		2.4006
O11	3.6755	4.2171	4.4222	3.8631	2.5540	2.3834	1.2524	3.2075	2.5606	2.4006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	114.553	C1	N6	C7	120.724
H2	C1	H3	107.751	H2	C1	H4	107.776
H2	C1	N6	110.790	H3	C1	H4	109.128
H3	C1	N6	108.950	H4	C1	N6	112.329
H5	N6	C7	111.748	N6	C7	N10	110.568
N6	C7	O11	124.259	C7	N10	H8	113.182
C7	N10	H9	110.091	H8	N10	H9	109.964
N10	C7	O11	125.153

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

using model chemistry: LSDA/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	-0.203
2	H	0.097
3	H	0.109
4	H	0.107
5	H	0.209
6	N	-0.305
7	C	0.209
8	H	0.195
9	H	0.201
10	N	-0.389
11	O	-0.230

	x	y	z	Total
	-2.218	1.087	-0.599	2.541
CHELPG
AIM
ESP

	x	y	z
x	4.635	-0.031	0.275
y	-0.031	3.895	-0.130
z	0.275	-0.130	1.414

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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