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	hartrees
Energy at 0K	-263.118840
Energy at 298.15K	-263.127229
Nuclear repulsion energy	184.830774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3936	3582	44.11
2	A	3874	3526	48.25
3	A	3817	3474	38.36
4	A	3253	2961	27.56
5	A	3199	2911	47.93
6	A	3154	2871	50.68
7	A	1932	1758	648.46
8	A	1777	1617	152.14
9	A	1646	1498	34.50
10	A	1617	1471	22.38
11	A	1611	1467	35.42
12	A	1594	1451	31.90
13	A	1522	1386	212.31
14	A	1309	1191	1.97
15	A	1251	1139	6.66
16	A	1228	1118	46.69
17	A	1172	1067	31.68
18	A	952	866	6.56
19	A	875	796	67.51
20	A	639	581	28.35
21	A	598	544	47.80
22	A	557	507	99.69
23	A	511	465	25.60
24	A	407	370	170.19
25	A	305	278	4.09
26	A	174	158	1.81
27	A	102	93	5.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.866	0.064	0.073
H2	-2.046	0.800	-0.702
H3	-2.677	-0.648	0.027
H4	-1.902	0.559	1.037
H5	-0.633	-1.629	-0.040
N6	-0.628	-0.644	-0.141
C7	0.619	-0.115	-0.016
H8	-0.039	1.795	-0.356
H9	1.603	1.610	-0.064
N10	0.685	1.250	0.042
O11	1.597	-0.803	0.057

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0843	1.0799	1.0844	2.0976	1.4427	2.4938	2.5528	3.8012	2.8141	3.5702
H2	1.0843		1.7404	1.7619	2.8873	2.1003	2.9006	2.2657	3.7922	2.8663	4.0517
H3	1.0799	1.7404		1.7541	2.2680	2.0563	3.3394	3.6153	4.8404	3.8612	4.2769
H4	1.0844	1.7619	1.7541		2.7495	2.1120	2.8147	2.6340	3.8218	2.8574	3.8809
H5	2.0976	2.8873	2.2680	2.7495		0.9907	1.9649	3.4892	3.9366	3.1678	2.3805
N6	1.4427	2.1003	2.0563	2.1120	0.9907		1.3600	2.5174	3.1723	2.3116	2.2391
C7	2.4938	2.9006	3.3394	2.8147	1.9649	1.3600		2.0489	1.9871	1.3682	1.1972
H8	2.5528	2.2657	3.6153	2.6340	3.4892	2.5174	2.0489		1.6788	0.9902	3.0974
H9	3.8012	3.7922	4.8404	3.8218	3.9366	3.1723	1.9871	1.6788		0.9917	2.4159
N10	2.8141	2.8663	3.8612	2.8574	3.1678	2.3116	1.3682	0.9902	0.9917		2.2460
O11	3.5702	4.0517	4.2769	3.8809	2.3805	2.2391	1.1972	3.0974	2.4159	2.2460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.896	C1	N6	C7	125.665
H2	C1	H3	107.065	H2	C1	H4	108.665
H2	C1	N6	111.653	H3	C1	H4	108.283
H3	C1	N6	108.352	H4	C1	N6	112.620
H5	N6	C7	112.469	N6	C7	N10	115.834
N6	C7	O11	122.098	C7	N10	H8	119.781
C7	N10	H9	113.758	H8	N10	H9	115.797
N10	C7	O11	122.061

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

using model chemistry: HF/cc-pVTZ

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	CHELPG	ESP
1	C	-0.172	0.196	0.010
2	H	0.078	-0.008	0.036
3	H	0.107	0.038	0.079
4	H	0.097	0.008	0.058
5	H	0.181	0.352	0.337
6	N	-0.225	-0.712	-0.584
7	C	0.349	0.981	0.839
8	H	0.175	0.364	0.364
9	H	0.189	0.369	0.380
10	N	-0.327	-0.880	-0.855
11	O	-0.451	-0.707	-0.663

	x	y	z	Total
	-3.729	2.257	-0.556	4.394
CHELPG
AIM
ESP	-3.799	2.259	-0.640	4.466

	x	y	z
x	6.882	-0.179	0.061
y	-0.179	5.945	-0.036
z	0.061	-0.036	4.244

<r²>	117.147
(<r²>)^1/2	10.823

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

using model chemistry: HF/cc-pVTZ

States and conformations

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