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	hartrees
Energy at 0K	-263.074143
Energy at 298.15K	-263.082602
Nuclear repulsion energy	184.593285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3952	3574	29.02
2	A	3895	3523	35.10
3	A	3841	3473	28.39
4	A	3282	2968	36.98
5	A	3230	2921	61.04
6	A	3183	2878	54.93
7	A	1962	1774	656.41
8	A	1822	1648	155.87
9	A	1663	1504	30.44
10	A	1634	1478	10.94
11	A	1626	1471	30.61
12	A	1614	1460	47.70
13	A	1531	1385	230.93
14	A	1317	1191	1.10
15	A	1258	1138	11.69
16	A	1243	1124	49.73
17	A	1181	1068	34.64
18	A	955	863	6.42
19	A	884	800	103.91
20	A	659	596	49.22
21	A	606	548	136.78
22	A	590	533	52.64
23	A	531	480	51.34
24	A	424	383	145.17
25	A	307	277	3.00
26	A	181	164	2.76
27	A	105	95	7.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.865	0.066	0.093
H2	-2.062	0.824	-0.658
H3	-2.679	-0.643	0.047
H4	-1.873	0.536	1.071
H5	-0.638	-1.626	-0.069
N6	-0.631	-0.640	-0.176
C7	0.620	-0.118	-0.020
H8	-0.006	1.790	-0.424
H9	1.610	1.603	-0.044
N10	0.685	1.252	0.040
O11	1.592	-0.808	0.074

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0849	1.0807	1.0850	2.0961	1.4464	2.4942	2.5877	3.8021	2.8130	3.5658
H2	1.0849		1.7409	1.7627	2.8943	2.1028	2.9133	2.2838	3.8037	2.8669	4.0685
H3	1.0807	1.7409		1.7568	2.2685	2.0598	3.3414	3.6456	4.8426	3.8616	4.2746
H4	1.0850	1.7627	1.7568		2.7380	2.1166	2.7992	2.7014	3.8100	2.8500	3.8483
H5	2.0961	2.8943	2.2685	2.7380		0.9916	1.9641	3.4921	3.9343	3.1695	2.3796
N6	1.4464	2.1028	2.0598	2.1166	0.9916		1.3649	2.5217	3.1739	2.3155	2.2440
C7	2.4942	2.9133	3.3414	2.7992	1.9641	1.3649		2.0485	1.9857	1.3732	1.1958
H8	2.5877	2.2838	3.6456	2.7014	3.4921	2.5217	2.0485		1.6707	0.9916	3.0907
H9	3.8021	3.8037	4.8426	3.8100	3.9343	3.1739	1.9857	1.6707		0.9926	2.4139
N10	2.8130	2.8669	3.8616	2.8500	3.1695	2.3155	1.3732	0.9916	0.9926		2.2511
O11	3.5658	4.0685	4.2746	3.8483	2.3796	2.2440	1.1958	3.0907	2.4139	2.2511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.358	C1	N6	C7	125.028
H2	C1	H3	106.998	H2	C1	H4	108.649
H2	C1	N6	111.551	H3	C1	H4	108.423
H3	C1	N6	108.324	H4	C1	N6	112.692
H5	N6	C7	111.938	N6	C7	N10	115.484
N6	C7	O11	122.269	C7	N10	H8	119.174
C7	N10	H9	113.157	H8	N10	H9	114.701
N10	C7	O11	122.240

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

using model chemistry: HF/6-311G*

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	-0.453	0.250	0.076
2	H	0.208	-0.017	0.025
3	H	0.225	0.029	0.067
4	H	0.226	-0.000	0.048
5	H	0.376	0.383	0.371
6	N	-0.701	-0.808	-0.700
7	C	0.780	1.062	0.941
8	H	0.363	0.400	0.402
9	H	0.379	0.397	0.405
10	N	-0.886	-0.979	-0.957
11	O	-0.515	-0.716	-0.678

	x	y	z	Total
	-3.585	2.191	-0.643	4.250
CHELPG
AIM
ESP	-3.653	2.203	-0.739	4.329

	x	y	z
x	6.249	-0.193	0.126
y	-0.193	5.418	-0.058
z	0.126	-0.058	3.666

<r²>	117.244
(<r²>)^1/2	10.828

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

using model chemistry: HF/6-311G*

States and conformations

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