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	hartrees
Energy at 0K	-263.225886
Energy at 298.15K	-263.233683
Nuclear repulsion energy	183.224372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3596	61.69
2	A	3587	3533	62.25
3	A	3513	3460	23.34
4	A	3086	3040	5.50
5	A	2988	2943	25.08
6	A	2930	2886	50.94
7	A	1779	1753	544.11
8	A	1556	1533	286.06
9	A	1474	1452	124.36
10	A	1447	1425	7.61
11	A	1420	1399	14.40
12	A	1396	1375	5.20
13	A	1358	1338	21.18
14	A	1191	1173	9.95
15	A	1107	1090	3.74
16	A	1101	1084	16.33
17	A	1036	1020	12.74
18	A	899	885	5.56
19	A	742	730	24.83
20	A	571	563	9.27
21	A	528	520	54.23
22	A	500	493	43.70
23	A	398	392	10.55
24	A	331	326	211.84
25	A	279	275	8.36
26	A	139	137	3.65
27	A	85	83	4.97

Atom	x (Å)	y (Å)	z (Å)
C1	-1.856	0.032	0.031
H2	-2.050	0.659	-0.863
H3	-2.687	-0.687	0.099
H4	-1.900	0.678	0.930
H5	-0.593	-1.695	-0.037
N6	-0.617	-0.677	-0.056
C7	0.621	-0.104	-0.008
H8	-0.183	1.811	-0.263
H9	1.541	1.688	-0.073
N10	0.622	1.268	0.044
O11	1.656	-0.769	0.019

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1098	1.1001	1.1078	2.1403	1.4304	2.4816	2.4602	3.7815	2.7696	3.6024
H2	1.1098		1.7728	1.7997	2.8891	2.1193	2.9069	2.2745	3.8187	2.8868	4.0684
H3	1.1001	1.7728		1.7807	2.3277	2.0755	3.3606	3.5550	4.8526	3.8434	4.3442
H4	1.1078	1.7997	1.7807		2.8764	2.1110	2.8020	2.3781	3.7247	2.7380	3.9461
H5	2.1403	2.8891	2.3277	2.8764		1.0178	2.0012	3.5371	4.0003	3.2031	2.4327
N6	1.4304	2.1193	2.0755	2.1110	1.0178		1.3654	2.5346	3.2025	2.3085	2.2761
C7	2.4816	2.9069	3.3606	2.8020	2.0012	1.3654		2.0932	2.0161	1.3731	1.2300
H8	2.4602	2.2745	3.5550	2.3781	3.5371	2.5346	2.0932		1.7393	1.0186	3.1811
H9	3.7815	3.8187	4.8526	3.7247	4.0003	3.2025	2.0161	1.7393		1.0176	2.4617
N10	2.7696	2.8868	3.8434	2.7380	3.2031	2.3085	1.3731	1.0186	1.0176		2.2843
O11	3.6024	4.0684	4.3442	3.9461	2.4327	2.2761	1.2300	3.1811	2.4617	2.2843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	120.984	C1	N6	C7	125.137
H2	C1	H3	106.683	H2	C1	H4	108.495
H2	C1	N6	112.472	H3	C1	H4	107.511
H3	C1	N6	109.512	H4	C1	N6	111.918
H5	N6	C7	113.417	N6	C7	N10	114.915
N6	C7	O11	122.475	C7	N10	H8	121.423
C7	N10	H9	114.156	H8	N10	H9	117.336
N10	C7	O11	122.588

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

using model chemistry: LSDA/6-31+G**

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	-0.494
2	H	0.185
3	H	0.195
4	H	0.202
5	H	0.339
6	N	-0.384
7	C	0.456
8	H	0.296
9	H	0.336
10	N	-0.601
11	O	-0.531

	x	y	z	Total
	-4.042	2.103	-0.556	4.590
CHELPG
AIM
ESP

	x	y	z
x	8.489	-0.255	0.055
y	-0.255	7.244	0.012
z	0.055	0.012	5.095

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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