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	hartrees
Energy at 0K	-262.943889
Energy at 298.15K	-262.952440
Nuclear repulsion energy	182.589777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4028	3626	62.10
2	A	3912	3522	58.39
3	A	3875	3489	62.99
4	A	3322	2991	35.18
5	A	3264	2939	67.68
6	A	3199	2880	60.90
7	A	1843	1660	529.42
8	A	1794	1616	291.23
9	A	1676	1509	35.54
10	A	1654	1489	10.76
11	A	1639	1476	105.24
12	A	1594	1435	45.06
13	A	1565	1410	264.42
14	A	1308	1178	1.70
15	A	1264	1138	0.32
16	A	1233	1110	57.72
17	A	1181	1064	23.14
18	A	949	855	5.92
19	A	867	780	226.18
20	A	622	560	295.58
21	A	614	553	12.63
22	A	599	539	11.10
23	A	567	511	18.19
24	A	480	432	170.74
25	A	309	278	5.21
26	A	176	158	1.33
27	A	140	126	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	1.896	0.055	0.000
H2	2.009	0.675	0.884
H3	2.701	-0.665	0.002
H4	2.011	0.675	-0.883
H5	0.633	-1.657	-0.001
N6	0.630	-0.663	-0.001
C7	-0.618	-0.105	-0.000
H8	0.104	1.857	-0.001
H9	-1.596	1.664	0.000
N10	-0.688	1.262	-0.000
O11	-1.642	-0.805	0.000

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0850	1.0800	1.0850	2.1281	1.4556	2.5191	2.5413	3.8446	2.8519	3.6413
H2	1.0850		1.7475	1.7672	2.8487	2.1148	2.8789	2.4103	3.8406	2.8979	4.0371
H3	1.0800	1.7475		1.7475	2.2935	2.0702	3.3651	3.6200	4.8869	3.8981	4.3446
H4	1.0850	1.7672	1.7475		2.8483	2.1150	2.8804	2.4110	3.8426	2.8996	4.0388
H5	2.1281	2.8487	2.2935	2.8483		0.9939	1.9925	3.5529	3.9987	3.2031	2.4285
N6	1.4556	2.1148	2.0702	2.1150	0.9939		1.3669	2.5739	3.2199	2.3327	2.2766
C7	2.5191	2.8789	3.3651	2.8804	1.9925	1.3669		2.0902	2.0213	1.3686	1.2405
H8	2.5413	2.4103	3.6200	2.4110	3.5529	2.5739	2.0902		1.7101	0.9902	3.1829
H9	3.8446	3.8406	4.8869	3.8426	3.9987	3.2199	2.0213	1.7101		0.9928	2.4692
N10	2.8519	2.8979	3.8981	2.8996	3.2031	2.3327	1.3686	0.9902	0.9928		2.2762
O11	3.6413	4.0371	4.3446	4.0388	2.4285	2.2766	1.2405	3.1829	2.4692	2.2762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.448	C1	N6	C7	126.355
H2	C1	H3	107.642	H2	C1	H4	109.053
H2	C1	N6	111.873	H3	C1	H4	107.647
H3	C1	N6	108.563	H4	C1	N6	111.884
H5	N6	C7	114.197	N6	C7	N10	117.022
N6	C7	O11	121.576	C7	N10	H8	123.989
C7	N10	H9	116.837	H8	N10	H9	119.174
N10	C7	O11	121.402

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

using model chemistry: HF/SDD

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	-0.440
2	H	0.201
3	H	0.205
4	H	0.201
5	H	0.392
6	N	-0.598
7	C	0.601
8	H	0.379
9	H	0.396
10	N	-0.833
11	O	-0.503

	x	y	z	Total
	4.737	2.882	-0.002	5.544
CHELPG
AIM
ESP

	x	y	z
x	6.065	0.316	-0.001
y	0.316	5.225	-0.000
z	-0.001	-0.000	3.260

<r²>	120.387
(<r²>)^1/2	10.972

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

using model chemistry: HF/SDD

States and conformations

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