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	hartrees
Energy at 0K	-213.146704
Energy at 298.15K	-213.159473
HF Energy	-212.330781
Nuclear repulsion energy	187.693225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3350	0.68
2	A'	3184	3018	39.51
3	A'	3163	2998	63.87
4	A'	3101	2940	53.52
5	A'	3082	2921	14.74
6	A'	2994	2838	155.88
7	A'	1535	1455	0.66
8	A'	1504	1425	2.45
9	A'	1492	1415	11.39
10	A'	1449	1374	2.23
11	A'	1401	1328	0.22
12	A'	1336	1266	5.65
13	A'	1250	1185	1.03
14	A'	1182	1121	14.59
15	A'	1094	1037	6.13
16	A'	924	876	11.78
17	A'	837	793	13.58
18	A'	814	772	45.64
19	A'	433	410	0.28
20	A'	269	255	0.82
21	A'	187	177	0.56
22	A'	114	108	1.11
23	A"	3184	3018	11.23
24	A"	3163	2998	14.02
25	A"	3099	2938	0.40
26	A"	3081	2921	30.92
27	A"	2990	2834	7.21
28	A"	1529	1450	26.87
29	A"	1517	1438	4.91
30	A"	1501	1423	4.42
31	A"	1487	1410	6.01
32	A"	1421	1347	12.60
33	A"	1370	1299	33.88
34	A"	1293	1226	2.49
35	A"	1199	1136	34.28
36	A"	1123	1064	5.77
37	A"	1081	1024	3.02
38	A"	965	914	0.35
39	A"	811	769	0.36
40	A"	428	406	0.64
41	A"	268	254	0.71
42	A"	109	103	1.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.293	0.000
C2	0.018	0.520	1.216
C3	0.018	0.520	-1.216
C4	0.018	-0.371	2.459
C5	0.018	-0.371	-2.459
H6	-0.835	-0.858	0.000
H7	-0.839	1.231	1.261
H8	0.935	1.138	1.206
H9	-0.839	1.231	-1.261
H10	0.935	1.138	-1.206
H11	0.071	0.233	3.380
H12	-0.904	-0.980	2.507
H13	0.879	-1.059	2.433
H14	0.071	0.233	-3.380
H15	-0.904	-0.980	-2.507
H16	0.879	-1.059	-2.433

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4630	1.4630	2.4603	2.4603	1.0231	2.1555	2.0839	2.1555	2.0839	3.4213	2.7581	2.6919	3.4213	2.7581	2.6919
C2	1.4630		2.4329	1.5291	3.7820	2.0261	1.1144	1.1058	2.7160	2.6630	2.1834	2.1825	2.1710	4.6060	4.1187	4.0682
C3	1.4630	2.4329		3.7820	1.5291	2.0261	2.7160	2.6630	1.1144	1.1058	4.6060	4.1187	4.0682	2.1834	2.1825	2.1710
C4	2.4603	1.5291	3.7820		4.9182	2.6479	2.1767	2.1653	4.1400	4.0684	1.1029	1.1051	1.1023	5.8708	5.0876	5.0143
C5	2.4603	3.7820	1.5291	4.9182		2.6479	4.1400	4.0684	2.1767	2.1653	5.8708	5.0876	5.0143	1.1029	1.1051	1.1023
H6	1.0231	2.0261	2.0261	2.6479	2.6479		2.4399	2.9274	2.4399	2.9274	3.6655	2.5112	2.9827	3.6655	2.5112	2.9827
H7	2.1555	1.1144	2.7160	2.1767	4.1400	2.4399		1.7767	2.5215	3.0396	2.5132	2.5388	3.0934	4.8335	4.3692	4.6730
H8	2.0839	1.1058	2.6630	2.1653	4.0684	2.9274	1.7767		3.0396	2.4122	2.5085	3.0912	2.5168	4.7540	4.6532	4.2509
H9	2.1555	2.7160	1.1144	4.1400	2.1767	2.4399	2.5215	3.0396		1.7767	4.8335	4.3692	4.6730	2.5132	2.5388	3.0934
H10	2.0839	2.6630	1.1058	4.0684	2.1653	2.9274	3.0396	2.4122	1.7767		4.7540	4.6532	4.2509	2.5085	3.0912	2.5168
H11	3.4213	2.1834	4.6060	1.1029	5.8708	3.6655	2.5132	2.5085	4.8335	4.7540		1.7836	1.7945	6.7605	6.0895	6.0093
H12	2.7581	2.1825	4.1187	1.1051	5.0876	2.5112	2.5388	3.0912	4.3692	4.6532	1.7836		1.7858	6.0895	5.0146	5.2522
H13	2.6919	2.1710	4.0682	1.1023	5.0143	2.9827	3.0934	2.5168	4.6730	4.2509	1.7945	1.7858		6.0093	5.2522	4.8652
H14	3.4213	4.6060	2.1834	5.8708	1.1029	3.6655	4.8335	4.7540	2.5132	2.5085	6.7605	6.0895	6.0093		1.7836	1.7945
H15	2.7581	4.1187	2.1825	5.0876	1.1051	2.5112	4.3692	4.6532	2.5388	3.0912	6.0895	5.0146	5.2522	1.7836		1.7858
H16	2.6919	4.0682	2.1710	5.0143	1.1023	2.9827	4.6730	4.2509	3.0934	2.5168	6.0093	5.2522	4.8652	1.7945	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.609	N1	C2	H7	112.811
N1	C2	H8	107.622	N1	C3	C5	110.609
N1	C3	H9	112.811	N1	C3	H10	107.622
C2	N1	C3	112.510	C2	N1	H6	107.857
C2	C4	H11	111.068	C2	C4	H12	110.867
C2	C4	H13	110.126	C3	N1	H6	107.857
C3	C5	H14	111.068	C3	C5	H15	110.867
C3	C5	H16	110.126	C4	C2	H7	109.861
C4	C2	H8	109.474	C5	C3	H8	150.990
C5	C3	H10	109.474	H7	C2	H8	106.310
H9	C3	H10	106.310	H11	C4	H12	107.759
H11	C4	H13	108.932	H12	C4	H13	107.994
H14	C5	H15	107.759	H14	C5	H16	108.932
H15	C5	H16	107.994

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

using model chemistry: MP3/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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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: MP3/cc-pVDZ

States and conformations

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