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	hartrees
Energy at 0K	-213.130018
Energy at 298.15K	-213.142803
HF Energy	-212.336545
Nuclear repulsion energy	188.878588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3571	3354	0.09
2	A'	3231	3034	39.10
3	A'	3210	3015	55.41
4	A'	3149	2957	46.07
5	A'	3119	2929	12.54
6	A'	3027	2843	173.68
7	A'	1571	1476	0.84
8	A'	1548	1454	3.58
9	A'	1538	1444	15.29
10	A'	1470	1380	3.64
11	A'	1432	1345	0.58
12	A'	1345	1263	5.08
13	A'	1264	1188	1.82
14	A'	1196	1123	11.63
15	A'	1097	1030	8.31
16	A'	925	869	7.65
17	A'	848	796	3.65
18	A'	795	747	80.77
19	A'	433	407	0.28
20	A'	267	251	1.62
21	A'	191	179	0.90
22	A'	115	108	1.77
23	A"	3231	3034	6.13
24	A"	3210	3015	16.55
25	A"	3148	2957	0.50
26	A"	3119	2929	35.29
27	A"	3025	2841	12.92
28	A"	1561	1466	2.08
29	A"	1546	1452	0.17
30	A"	1542	1448	8.29
31	A"	1507	1416	38.80
32	A"	1454	1365	12.98
33	A"	1388	1303	20.00
34	A"	1312	1233	2.84
35	A"	1197	1124	44.22
36	A"	1144	1074	8.95
37	A"	1095	1029	3.88
38	A"	972	913	0.31
39	A"	828	777	0.46
40	A"	437	410	0.41
41	A"	268	252	0.63
42	A"	109	103	1.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.283	0.000
C2	0.017	0.519	1.218
C3	0.017	0.519	-1.218
C4	0.017	-0.372	2.447
C5	0.017	-0.372	-2.447
H6	-0.798	-0.890	0.000
H7	-0.835	1.215	1.260
H8	0.922	1.130	1.203
H9	-0.835	1.215	-1.260
H10	0.922	1.130	-1.203
H11	0.048	0.225	3.358
H12	-0.884	-0.985	2.480
H13	0.880	-1.034	2.430
H14	0.048	0.225	-3.358
H15	-0.884	-0.985	-2.480
H16	0.880	-1.034	-2.430

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4587	1.4587	2.4488	2.4488	1.0168	2.1346	2.0641	2.1346	2.0641	3.3961	2.7306	2.6861	3.3961	2.7306	2.6861
C2	1.4587		2.4363	1.5182	3.7721	2.0338	1.1007	1.0915	2.7110	2.6555	2.1601	2.1605	2.1509	4.5855	4.0931	4.0582
C3	1.4587	2.4363		3.7721	1.5182	2.0338	2.7110	2.6555	1.1007	1.0915	4.5855	4.0931	4.0582	2.1601	2.1605	2.1509
C4	2.4488	1.5182	3.7721		4.8943	2.6310	2.1573	2.1499	4.1213	4.0490	1.0890	1.0902	1.0877	5.8356	5.0466	4.9973
C5	2.4488	3.7721	1.5182	4.8943		2.6310	4.1213	4.0490	2.1573	2.1499	5.8356	5.0466	4.9973	1.0890	1.0902	1.0877
H6	1.0168	2.0338	2.0338	2.6310	2.6310		2.4537	2.9131	2.4537	2.9131	3.6379	2.4836	2.9570	3.6379	2.4836	2.9570
H7	2.1346	1.1007	2.7110	2.1573	4.1213	2.4537		1.7600	2.5195	3.0262	2.4823	2.5162	3.0608	4.8043	4.3393	4.6492
H8	2.0641	1.0915	2.6555	2.1499	4.0490	2.9131	1.7600		3.0262	2.4054	2.4955	3.0601	2.4878	4.7308	4.6148	4.2286
H9	2.1346	2.7110	1.1007	4.1213	2.1573	2.4537	2.5195	3.0262		1.7600	4.8043	4.3393	4.6492	2.4823	2.5162	3.0608
H10	2.0641	2.6555	1.0915	4.0490	2.1499	2.9131	3.0262	2.4054	1.7600		4.7308	4.6148	4.2286	2.4955	3.0601	2.4878
H11	3.3961	2.1601	4.5855	1.0890	5.8356	3.6379	2.4823	2.4955	4.8043	4.7308		1.7609	1.7710	6.7156	6.0345	5.9815
H12	2.7306	2.1605	4.0931	1.0902	5.0466	2.4836	2.5162	3.0601	4.3393	4.6148	1.7609		1.7652	6.0345	4.9607	5.2181
H13	2.6861	2.1509	4.0582	1.0877	4.9973	2.9570	3.0608	2.4878	4.6492	4.2286	1.7710	1.7652		5.9815	5.2181	4.8607
H14	3.3961	4.5855	2.1601	5.8356	1.0890	3.6379	4.8043	4.7308	2.4823	2.4955	6.7156	6.0345	5.9815		1.7609	1.7710
H15	2.7306	4.0931	2.1605	5.0466	1.0902	2.4836	4.3393	4.6148	2.5162	3.0601	6.0345	4.9607	5.2181	1.7609		1.7652
H16	2.6861	4.0582	2.1509	4.9973	1.0877	2.9570	4.6492	4.2286	3.0608	2.4878	5.9815	5.2181	4.8607	1.7710	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.678	N1	C2	H7	112.281
N1	C2	H8	107.200	N1	C3	C5	110.678
N1	C3	H9	112.281	N1	C3	H10	107.200
C2	N1	C3	113.255	C2	N1	H6	109.184
C2	C4	H11	110.815	C2	C4	H12	110.776
C2	C4	H13	110.168	C3	N1	H6	109.184
C3	C5	H14	110.815	C3	C5	H15	110.776
C3	C5	H16	110.168	C4	C2	H7	109.898
C4	C2	H8	109.856	C5	C3	H8	150.798
C5	C3	H10	109.856	H7	C2	H8	106.802
H9	C3	H10	106.802	H11	C4	H12	107.811
H11	C4	H13	108.897	H12	C4	H13	108.294
H14	C5	H15	107.811	H14	C5	H16	108.897
H15	C5	H16	108.294

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

using model chemistry: MP2=FULL/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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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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