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	hartrees
Energy at 0K	-264.594214
Energy at 298.15K	-264.602279
Nuclear repulsion energy	182.678616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3696	3567	27.42
2	A	3655	3527	35.38
3	A	3581	3455	18.05
4	A	3126	3016	14.88
5	A	3050	2943	36.94
6	A	3005	2899	47.31
7	A	1813	1749	411.50
8	A	1626	1569	115.13
9	A	1523	1470	29.69
10	A	1492	1439	33.79
11	A	1485	1433	33.02
12	A	1446	1395	17.41
13	A	1403	1353	151.84
14	A	1207	1165	2.60
15	A	1158	1117	5.53
16	A	1139	1099	28.36
17	A	1077	1039	30.92
18	A	887	856	4.70
19	A	779	752	47.44
20	A	594	573	33.83
21	A	560	541	123.78
22	A	533	514	29.33
23	A	482	465	30.83
24	A	386	372	102.17
25	A	276	267	3.57
26	A	145	140	3.59
27	A	96	92	3.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.877	0.050	0.076
H2	-2.088	0.768	-0.727
H3	-2.695	-0.673	0.079
H4	-1.891	0.590	1.032
H5	-0.626	-1.657	-0.040
N6	-0.631	-0.656	-0.147
C7	0.628	-0.114	-0.017
H8	-0.063	1.799	-0.412
H9	1.592	1.640	-0.078
N10	0.661	1.273	0.052
O11	1.631	-0.800	0.058

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0983	1.0918	1.0975	2.1191	1.4493	2.5119	2.5669	3.8183	2.8174	3.6091
H2	1.0983		1.7590	1.7792	2.9137	2.1185	2.9428	2.2947	3.8368	2.9021	4.1116
H3	1.0918	1.7590		1.7744	2.2938	2.0764	3.3712	3.6443	4.8730	3.8796	4.3277
H4	1.0975	1.7792	1.7744		2.7924	2.1286	2.8182	2.6250	3.8031	2.8180	3.9095
H5	2.1191	2.9137	2.2938	2.7924		1.0066	1.9893	3.5218	3.9735	3.2020	2.4168
N6	1.4493	2.1185	2.0764	2.1286	1.0066		1.3772	2.5343	3.1961	2.3306	2.2757
C7	2.5119	2.9428	3.3712	2.8182	1.9893	1.3772		2.0718	2.0013	1.3887	1.2173
H8	2.5669	2.2947	3.6443	2.6250	3.5218	2.5343	2.0718		1.6952	1.0083	3.1374
H9	3.8183	3.8368	4.8730	3.8031	3.9735	3.1961	2.0013	1.6952		1.0083	2.4432
N10	2.8174	2.9021	3.8796	2.8180	3.2020	2.3306	1.3887	1.0083	1.0083		2.2882
O11	3.6091	4.1116	4.3277	3.9095	2.4168	2.2757	1.2173	3.1374	2.4432	2.2882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	118.156	C1	N6	C7	125.401
H2	C1	H3	106.866	H2	C1	H4	108.241
H2	C1	N6	111.782	H3	C1	H4	108.289
H3	C1	N6	108.781	H4	C1	N6	112.664
H5	N6	C7	112.187	N6	C7	N10	114.828
N6	C7	O11	122.474	C7	N10	H8	118.752
C7	N10	H9	112.238	H8	N10	H9	114.404
N10	C7	O11	122.682

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.330
2	H	0.123
3	H	0.137
4	H	0.136
5	H	0.253
6	N	-0.308
7	C	0.418
8	H	0.249
9	H	0.260
10	N	-0.544
11	O	-0.394

	x	y	z	Total
	-3.297	1.849	-0.618	3.830
CHELPG
AIM
ESP

	x	y	z
x	7.307	-0.059	0.109
y	-0.059	6.240	-0.085
z	0.109	-0.085	3.930

<r²>	118.722
(<r²>)^1/2	10.896

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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