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	hartrees
Energy at 0K	-264.529115
Energy at 298.15K	-264.537127
Nuclear repulsion energy	182.987315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3589	47.95
2	A	3711	3532	53.46
3	A	3641	3465	28.19
4	A	3175	3022	12.47
5	A	3100	2951	31.63
6	A	3041	2895	50.69
7	A	1812	1725	590.38
8	A	1642	1563	176.45
9	A	1535	1461	70.79
10	A	1506	1433	72.53
11	A	1498	1426	27.87
12	A	1468	1398	22.93
13	A	1423	1354	104.13
14	A	1220	1161	6.10
15	A	1159	1103	8.46
16	A	1148	1093	21.35
17	A	1089	1037	25.79
18	A	909	865	5.02
19	A	774	736	39.06
20	A	592	563	20.78
21	A	550	523	60.06
22	A	517	492	88.08
23	A	457	435	22.21
24	A	369	351	175.25
25	A	279	266	3.75
26	A	150	143	2.44
27	A	89	85	5.97

Atom	x (Å)	y (Å)	z (Å)
C1	-1.876	0.050	0.057
H2	-2.076	0.727	-0.782
H3	-2.689	-0.676	0.081
H4	-1.907	0.625	0.989
H5	-0.621	-1.662	-0.039
N6	-0.629	-0.658	-0.108
C7	0.622	-0.110	-0.014
H8	-0.087	1.815	-0.340
H9	1.588	1.646	-0.072
N10	0.663	1.267	0.047
O11	1.634	-0.797	0.041

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0967	1.0900	1.0959	2.1245	1.4437	2.5044	2.5447	3.8169	2.8162	3.6110
H2	1.0967		1.7572	1.7824	2.8940	2.1138	2.9279	2.3105	3.8446	2.9130	4.0948
H3	1.0900	1.7572		1.7694	2.2939	2.0690	3.3607	3.6268	4.8696	3.8750	4.3251
H4	1.0959	1.7824	1.7694		2.8179	2.1174	2.8179	2.5479	3.7925	2.8114	3.9316
H5	2.1245	2.8940	2.2939	2.8179		1.0062	1.9891	3.5310	3.9784	3.1996	2.4170
N6	1.4437	2.1138	2.0690	2.1174	1.0062		1.3691	2.5428	3.1980	2.3239	2.2721
C7	2.5044	2.9279	3.3607	2.8179	1.9891	1.3691		2.0774	2.0050	1.3789	1.2244
H8	2.5447	2.3105	3.6268	2.5479	3.5310	2.5428	2.0774		1.7053	1.0065	3.1515
H9	3.8169	3.8446	4.8696	3.7925	3.9784	3.1980	2.0050	1.7053		1.0067	2.4460
N10	2.8162	2.9130	3.8750	2.8114	3.1996	2.3239	1.3789	1.0065	1.0067		2.2809
O11	3.6110	4.0948	4.3251	3.9316	2.4170	2.2721	1.2244	3.1515	2.4460	2.2809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.192	C1	N6	C7	125.816
H2	C1	H3	106.949	H2	C1	H4	108.759
H2	C1	N6	111.903	H3	C1	H4	108.084
H3	C1	N6	108.690	H4	C1	N6	112.250
H5	N6	C7	112.840	N6	C7	N10	115.484
N6	C7	O11	122.240	C7	N10	H8	120.323
C7	N10	H9	113.460	H8	N10	H9	115.775
N10	C7	O11	122.259

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

using model chemistry: mPW1PW91/6-31+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	-0.412
2	H	0.163
3	H	0.175
4	H	0.185
5	H	0.340
6	N	-0.439
7	C	0.550
8	H	0.296
9	H	0.333
10	N	-0.626
11	O	-0.565

	x	y	z	Total
	-3.920	2.173	-0.604	4.523
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>	119.071
(<r²>)^1/2	10.912

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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