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	hartrees
Energy at 0K	-38.038222
Energy at 298.15K	-38.051180
HF Energy	-38.038222
Nuclear repulsion energy	110.031948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3729	3369	0.99
2	A'	3263	2948	114.15
3	A'	3241	2928	174.18
4	A'	3214	2903	27.05
5	A'	3176	2870	30.00
6	A'	3110	2810	221.68
7	A'	1662	1502	0.24
8	A'	1628	1471	3.13
9	A'	1621	1464	9.43
10	A'	1571	1419	1.38
11	A'	1520	1374	0.08
12	A'	1433	1295	7.82
13	A'	1331	1203	2.01
14	A'	1266	1144	20.60
15	A'	1123	1014	8.35
16	A'	960	868	5.25
17	A'	889	803	15.76
18	A'	840	759	71.56
19	A'	446	403	0.56
20	A'	272	245	1.60
21	A'	199	180	0.75
22	A'	120	109	1.82
23	A"	3263	2948	12.83
24	A"	3239	2926	44.71
25	A"	3206	2896	2.36
26	A"	3175	2868	57.49
27	A"	3100	2801	5.75
28	A"	1655	1495	33.44
29	A"	1646	1487	12.93
30	A"	1626	1469	3.73
31	A"	1615	1459	14.03
32	A"	1546	1397	8.13
33	A"	1480	1337	34.36
34	A"	1390	1256	2.90
35	A"	1242	1122	55.34
36	A"	1204	1088	7.72
37	A"	1144	1033	0.03
38	A"	997	901	0.96
39	A"	857	774	0.44
40	A"	451	408	0.30
41	A"	271	245	0.51
42	A"	113	102	1.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.281	0.000
C2	0.017	0.520	1.221
C3	0.017	0.520	-1.221
C4	0.017	-0.374	2.464
C5	0.017	-0.374	-2.464
H6	-0.790	-0.878	0.000
H7	-0.834	1.210	1.263
H8	0.916	1.133	1.218
H9	-0.834	1.210	-1.263
H10	0.916	1.133	-1.218
H11	0.046	0.228	3.370
H12	-0.880	-0.990	2.505
H13	0.879	-1.034	2.459
H14	0.046	0.228	-3.370
H15	-0.880	-0.990	-2.505
H16	0.879	-1.034	-2.459

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4601	1.4601	2.4661	2.4661	1.0046	2.1310	2.0713	2.1310	2.0713	3.4082	2.7540	2.7124	3.4082	2.7540	2.7124
C2	1.4601		2.4422	1.5312	3.7923	2.0243	1.0962	1.0879	2.7153	2.6708	2.1688	2.1758	2.1659	4.6004	4.1195	4.0867
C3	1.4601	2.4422		3.7923	1.5312	2.0243	2.7153	2.6708	1.0962	1.0879	4.6004	4.1195	4.0867	2.1688	2.1758	2.1659
C4	2.4661	1.5312	3.7923		4.9286	2.6418	2.1619	2.1523	4.1386	4.0792	1.0876	1.0891	1.0860	5.8653	5.0873	5.0415
C5	2.4661	3.7923	1.5312	4.9286		2.6418	4.1386	4.0792	2.1619	2.1523	5.8653	5.0873	5.0415	1.0876	1.0891	1.0860
H6	1.0046	2.0243	2.0243	2.6418	2.6418		2.4408	2.9052	2.4408	2.9052	3.6440	2.5093	2.9762	3.6440	2.5093	2.9762
H7	2.1310	1.0962	2.7153	2.1619	4.1386	2.4408		1.7517	2.5270	3.0372	2.4850	2.5265	3.0658	4.8173	4.3640	4.6718
H8	2.0713	1.0879	2.6708	2.1523	4.0792	2.9052	1.7517		3.0372	2.4362	2.4915	3.0643	2.4980	4.7569	4.6472	4.2686
H9	2.1310	2.7153	1.0962	4.1386	2.1619	2.4408	2.5270	3.0372		1.7517	4.8173	4.3640	4.6718	2.4850	2.5265	3.0658
H10	2.0713	2.6708	1.0879	4.0792	2.1523	2.9052	3.0372	2.4362	1.7517		4.7569	4.6472	4.2686	2.4915	3.0643	2.4980
H11	3.4082	2.1688	4.6004	1.0876	5.8653	3.6440	2.4850	2.4915	4.8173	4.7569		1.7572	1.7657	6.7399	6.0710	6.0218
H12	2.7540	2.1758	4.1195	1.0891	5.0873	2.5093	2.5265	3.0643	4.3640	4.6472	1.7572		1.7603	6.0710	5.0104	5.2667
H13	2.7124	2.1659	4.0867	1.0860	5.0415	2.9762	3.0658	2.4980	4.6718	4.2686	1.7657	1.7603		6.0218	5.2667	4.9177
H14	3.4082	4.6004	2.1688	5.8653	1.0876	3.6440	4.8173	4.7569	2.4850	2.4915	6.7399	6.0710	6.0218		1.7572	1.7657
H15	2.7540	4.1195	2.1758	5.0873	1.0891	2.5093	4.3640	4.6472	2.5265	3.0643	6.0710	5.0104	5.2667	1.7572		1.7603
H16	2.7124	4.0867	2.1659	5.0415	1.0860	2.9762	4.6718	4.2686	3.0658	2.4980	6.0218	5.2667	4.9177	1.7657	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.035	N1	C2	H7	112.164
N1	C2	H8	107.873	N1	C3	C5	111.035
N1	C3	H9	112.164	N1	C3	H10	107.873
C2	N1	C3	113.503	C2	N1	H6	109.037
C2	C4	H11	110.682	C2	C4	H12	111.150
C2	C4	H13	110.542	C3	N1	H6	109.037
C3	C5	H14	110.682	C3	C5	H15	111.150
C3	C5	H16	110.542	C4	C2	H7	109.624
C4	C2	H8	109.356	C5	C3	H8	151.118
C5	C3	H10	109.356	H7	C2	H8	106.645
H9	C3	H10	106.645	H11	C4	H12	107.657
H11	C4	H13	108.650	H12	C4	H13	108.053
H14	C5	H15	107.657	H14	C5	H16	108.650
H15	C5	H16	108.053

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)

using model chemistry: HF/CEP-121G*

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	N	-0.473
2	C	-0.159
3	C	-0.159
4	C	-0.487
5	C	-0.487
6	H	0.298
7	H	0.121
8	H	0.144
9	H	0.121
10	H	0.144
11	H	0.161
12	H	0.142
13	H	0.167
14	H	0.161
15	H	0.142
16	H	0.167

	x	y	z	Total
	-0.923	0.546	0.000	1.072
CHELPG
AIM
ESP

	x	y	z
x	7.123	0.068	0.000
y	0.068	7.452	0.000
z	0.000	0.000	9.031

<r²>	156.236
(<r²>)^1/2	12.499

All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)