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	hartrees
Energy at 0K	-302.066331
Energy at 298.15K	-302.076894
Nuclear repulsion energy	255.748824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3918	3558	39.15
2	A	3801	3452	34.26
3	A	3347	3039	3.90
4	A	3289	2987	29.49
5	A	3242	2944	47.59
6	A	3239	2941	50.96
7	A	3175	2883	50.31
8	A	3162	2871	71.06
9	A	1941	1763	532.27
10	A	1764	1601	173.50
11	A	1639	1488	142.22
12	A	1611	1463	8.90
13	A	1608	1460	8.23
14	A	1599	1452	8.94
15	A	1589	1443	36.22
16	A	1550	1407	34.91
17	A	1544	1402	160.66
18	A	1414	1284	33.57
19	A	1376	1250	27.01
20	A	1254	1139	6.65
21	A	1211	1100	3.08
22	A	1206	1095	56.14
23	A	1165	1058	25.35
24	A	1109	1007	25.48
25	A	887	806	86.38
26	A	834	757	7.07
27	A	655	595	40.67
28	A	629	571	139.86
29	A	555	504	5.20
30	A	450	409	14.89
31	A	429	389	48.70
32	A	349	317	9.56
33	A	235	213	14.07
34	A	146	133	2.04
35	A	115	104	4.69
36	A	66	60	5.00

Atom	x (Å)	y (Å)	z (Å)
H1	-2.547	0.588	-0.081
O2	-1.170	-1.344	0.087
C3	-0.747	-0.225	-0.018
N4	0.585	0.063	-0.166
H5	-1.345	1.672	-0.501
N6	-1.592	0.863	0.030
H7	1.850	-1.168	1.010
H8	2.393	-0.852	-0.651
H9	1.040	-1.957	-0.349
C10	1.519	-1.040	-0.027
H11	0.695	2.133	-0.588
H12	2.178	1.378	-0.052
H13	0.903	1.724	1.125
C14	1.101	1.391	0.102

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3787	1.9767	3.1769	1.6722	1.0005	4.8591	5.1777	4.4065	4.3804	3.6268	4.7910	3.8274	3.7401
O2	2.3787		1.2008	2.2629	3.0774	2.2475	3.1629	3.6718	2.3344	2.7085	4.0025	4.3171	3.8451	3.5548
C3	1.9767	1.2008		1.3701	2.0467	1.3784	2.9478	3.2638	2.5100	2.4078	2.8217	3.3355	2.7976	2.4577
N4	3.1769	2.2629	1.3701		2.5347	2.3271	2.1208	2.0839	2.0780	1.4518	2.1156	2.0694	2.1274	1.4500
H5	1.6722	3.0774	2.0467	2.5347		0.9985	4.5336	4.5129	4.3447	3.9723	2.0929	3.5635	2.7747	2.5346
N6	1.0005	2.2475	1.3784	2.3271	0.9985		4.1146	4.3914	3.8755	3.6469	2.6874	3.8056	2.8573	2.7450
H7	4.8591	3.1629	2.9478	2.1208	4.5336	4.1146		1.7754	1.7678	1.0955	3.8447	2.7777	3.0446	2.8166
H8	5.1777	3.6718	3.2638	2.0839	4.5129	4.3914	1.7754		1.7727	1.0905	3.4349	2.3195	3.4650	2.6957
H9	4.4065	2.3344	2.5100	2.0780	4.3447	3.8755	1.7678	1.7727		1.0836	4.1109	3.5362	3.9666	3.3783
C10	4.3804	2.7085	2.4078	1.4518	3.9723	3.6469	1.0955	1.0905	1.0836		3.3256	2.5063	3.0562	2.4697
H11	3.6268	4.0025	2.8217	2.1156	2.0929	2.6874	3.8447	3.4349	4.1109	3.3256		1.7485	1.7731	1.0913
H12	4.7910	4.3171	3.3355	2.0694	3.5635	3.8056	2.7777	2.3195	3.5362	2.5063	1.7485		1.7684	1.0878
H13	3.8274	3.8451	2.7976	2.1274	2.7747	2.8573	3.0446	3.4650	3.9666	3.0562	1.7731	1.7684		1.0938
C14	3.7401	3.5548	2.4577	1.4500	2.5346	2.7450	2.8166	2.6957	3.3783	2.4697	1.0913	1.0878	1.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.401	H1	N6	H5	113.556
O2	C3	N4	123.201	O2	C3	N6	121.087
C3	N4	C10	117.102	C3	N4	C14	121.236
C3	N6	H5	117.990	N4	C3	N6	115.700
N4	C10	H7	111.972	N4	C10	H8	109.286
N4	C10	H9	109.235	N4	C14	H11	111.940
N4	C14	H12	108.417	N4	C14	H13	112.753
H7	C10	H8	108.621	H7	C10	H9	108.438
H8	C10	H9	109.248	C10	N4	C14	116.658
H11	C14	H12	106.719	H11	C14	H13	108.474
H12	C14	H13	108.303

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)

using model chemistry: HF/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	CHELPG
1	H	0.123	0.357
2	O	-0.431	-0.639
3	C	0.515	0.874
4	N	-0.547	-0.369
5	H	0.111	0.346
6	N	-0.252	-0.864
7	H	0.026	0.067
8	H	0.029	0.052
9	H	0.073	0.070
10	C	0.120	-0.053
11	H	0.029	0.016
12	H	0.041	0.061
13	H	0.041	0.044
14	C	0.121	0.037

	x	y	z	Total
	1.597	3.485	-0.896	3.937
CHELPG
AIM
ESP

	x	y	z
x	7.587	0.014	-0.000
y	0.014	7.405	-0.152
z	-0.000	-0.152	4.948

<r²>	162.978
(<r²>)^1/2	12.766

All results from a given calculation for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)