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	hartrees
Energy at 0K	-263.058801
Energy at 298.15K	-263.067217
Nuclear repulsion energy	184.145243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3936	3584	45.45
2	A	3868	3522	48.03
3	A	3812	3472	37.84
4	A	3275	2982	27.47
5	A	3224	2936	43.51
6	A	3168	2885	51.66
7	A	1913	1742	668.75
8	A	1763	1606	167.81
9	A	1624	1479	52.62
10	A	1599	1456	38.52
11	A	1593	1451	28.47
12	A	1584	1443	23.59
13	A	1516	1380	176.65
14	A	1299	1182	2.09
15	A	1236	1126	17.49
16	A	1225	1116	36.23
17	A	1167	1063	29.32
18	A	952	867	5.93
19	A	866	789	66.05
20	A	648	590	40.34
21	A	596	542	58.19
22	A	561	511	86.03
23	A	518	472	40.75
24	A	405	369	153.23
25	A	307	279	3.17
26	A	181	165	2.06
27	A	108	99	6.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.868	0.066	0.088
H2	-2.038	0.850	-0.651
H3	-2.690	-0.640	-0.002
H4	-1.899	0.509	1.084
H5	-0.635	-1.631	-0.042
N6	-0.633	-0.644	-0.170
C7	0.617	-0.115	-0.020
H8	-0.024	1.799	-0.389
H9	1.616	1.607	-0.057
N10	0.689	1.254	0.041
O11	1.598	-0.809	0.069

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0905	1.0865	1.0913	2.1018	1.4481	2.4946	2.5755	3.8124	2.8203	3.5747
H2	1.0905		1.7506	1.7741	2.9146	2.1065	2.8951	2.2419	3.7785	2.8424	4.0607
H3	1.0865	1.7506		1.7675	2.2817	2.0639	3.3484	3.6337	4.8566	3.8735	4.2912
H4	1.0913	1.7741	1.7675		2.7289	2.1231	2.8184	2.7118	3.8555	2.8888	3.8726
H5	2.1018	2.9146	2.2817	2.7289		0.9957	1.9664	3.5016	3.9433	3.1755	2.3816
N6	1.4481	2.1065	2.0639	2.1231	0.9957		1.3654	2.5272	3.1831	2.3222	2.2491
C7	2.4946	2.8951	3.3484	2.8184	1.9664	1.3654		2.0527	1.9908	1.3725	1.2043
H8	2.5755	2.2419	3.6337	2.7118	3.5016	2.5272	2.0527		1.6843	0.9953	3.1055
H9	3.8124	3.7785	4.8566	3.8555	3.9433	3.1831	1.9908	1.6843		0.9964	2.4192
N10	2.8203	2.8424	3.8735	2.8888	3.1755	2.3222	1.3725	0.9953	0.9964		2.2546
O11	3.5747	4.0607	4.2912	3.8726	2.3816	2.2491	1.2043	3.1055	2.4192	2.2546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.448	C1	N6	C7	124.888
H2	C1	H3	107.057	H2	C1	H4	108.812
H2	C1	N6	111.380	H3	C1	H4	108.506
H3	C1	N6	108.191	H4	C1	N6	112.699
H5	N6	C7	111.827	N6	C7	N10	116.023
N6	C7	O11	122.024	C7	N10	H8	119.351
C7	N10	H9	113.408	H8	N10	H9	115.493
N10	C7	O11	121.948

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

using model chemistry: HF/aug-cc-pVDZ

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	0.826
2	H	-0.113
3	H	-0.235
4	H	-0.071
5	H	-0.124
6	N	-0.391
7	C	1.052
8	H	-0.032
9	H	-0.027
10	N	-0.174
11	O	-0.711

	x	y	z	Total
	-3.765	2.299	-0.538	4.444
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	117.962
(<r²>)^1/2	10.861

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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