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	hartrees
Energy at 0K	-213.398669
Energy at 298.15K	-213.411444
HF Energy	-212.394211
Nuclear repulsion energy	189.902886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3364	0.08
2	A'	3181	3020	29.88
3	A'	3162	3002	47.93
4	A'	3104	2947	44.41
5	A'	3092	2936	7.88
6	A'	2998	2846	146.10
7	A'	1551	1473	2.10
8	A'	1527	1450	2.31
9	A'	1518	1442	14.46
10	A'	1440	1367	4.39
11	A'	1405	1334	1.19
12	A'	1336	1269	4.43
13	A'	1247	1184	1.36
14	A'	1184	1124	11.10
15	A'	1094	1038	7.08
16	A'	917	871	5.71
17	A'	837	794	0.92
18	A'	782	742	71.66
19	A'	430	408	0.35
20	A'	275	261	0.90
21	A'	183	174	0.75
22	A'	111	106	1.08
23	A"	3181	3020	7.93
24	A"	3162	3002	12.92
25	A"	3104	2947	1.68
26	A"	3092	2935	24.85
27	A"	2997	2845	11.36
28	A"	1539	1462	2.29
29	A"	1525	1448	0.35
30	A"	1521	1444	8.55
31	A"	1484	1409	26.34
32	A"	1420	1348	13.82
33	A"	1369	1299	22.19
34	A"	1301	1235	3.19
35	A"	1195	1135	45.65
36	A"	1129	1072	6.56
37	A"	1085	1030	3.98
38	A"	966	917	0.23
39	A"	817	776	0.48
40	A"	428	407	0.52
41	A"	274	260	0.68
42	A"	110	104	0.94

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.284	0.000
C2	0.017	0.517	1.208
C3	0.017	0.517	-1.208
C4	0.017	-0.369	2.432
C5	0.017	-0.369	-2.432
H6	-0.800	-0.883	0.000
H7	-0.828	1.213	1.250
H8	0.920	1.123	1.195
H9	-0.828	1.213	-1.250
H10	0.920	1.123	-1.195
H11	0.056	0.223	3.342
H12	-0.884	-0.975	2.468
H13	0.872	-1.036	2.409
H14	0.056	0.223	-3.342
H15	-0.884	-0.975	-2.468
H16	0.872	-1.036	-2.409

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4494	1.4494	2.4339	2.4339	1.0124	2.1262	2.0553	2.1262	2.0553	3.3801	2.7164	2.6639	3.3801	2.7164	2.6639
C2	1.4494		2.4156	1.5112	3.7464	2.0211	1.0962	1.0875	2.6909	2.6375	2.1544	2.1506	2.1407	4.5591	4.0678	4.0274
C3	1.4494	2.4156		3.7464	1.5112	2.0211	2.6909	2.6375	1.0962	1.0875	4.5591	4.0678	4.0274	2.1544	2.1506	2.1407
C4	2.4339	1.5112	3.7464		4.8649	2.6169	2.1483	2.1379	4.0961	4.0248	1.0852	1.0868	1.0843	5.8044	5.0191	4.9611
C5	2.4339	3.7464	1.5112	4.8649		2.6169	4.0961	4.0248	2.1483	2.1379	5.8044	5.0191	4.9611	1.0852	1.0868	1.0843
H6	1.0124	2.0211	2.0211	2.6169	2.6169		2.4409	2.8997	2.4409	2.8997	3.6222	2.4709	2.9356	3.6222	2.4709	2.9356
H7	2.1262	1.0962	2.6909	2.1483	4.0961	2.4409		1.7514	2.5001	3.0072	2.4775	2.5050	3.0480	4.7799	4.3144	4.6189
H8	2.0553	1.0875	2.6375	2.1379	4.0248	2.8997	1.7514		3.0072	2.3902	2.4829	3.0456	2.4768	4.7053	4.5905	4.2011
H9	2.1262	2.6909	1.0962	4.0961	2.1483	2.4409	2.5001	3.0072		1.7514	4.7799	4.3144	4.6189	2.4775	2.5050	3.0480
H10	2.0553	2.6375	1.0875	4.0248	2.1379	2.8997	3.0072	2.3902	1.7514		4.7053	4.5905	4.2011	2.4829	3.0456	2.4768
H11	3.3801	2.1544	4.5591	1.0852	5.8044	3.6222	2.4775	2.4829	4.7799	4.7053		1.7555	1.7660	6.6833	6.0055	5.9427
H12	2.7164	2.1506	4.0678	1.0868	5.0191	2.4709	2.5050	3.0456	4.3144	4.5905	1.7555		1.7577	6.0055	4.9354	5.1832
H13	2.6639	2.1407	4.0274	1.0843	4.9611	2.9356	3.0480	2.4768	4.6189	4.2011	1.7660	1.7577		5.9427	5.1832	4.8175
H14	3.3801	4.5591	2.1544	5.8044	1.0852	3.6222	4.7799	4.7053	2.4775	2.4829	6.6833	6.0055	5.9427		1.7555	1.7660
H15	2.7164	4.0678	2.1506	5.0191	1.0868	2.4709	4.3144	4.5905	2.5050	3.0456	6.0055	4.9354	5.1832	1.7555		1.7577
H16	2.6639	4.0274	2.1407	4.9611	1.0843	2.9356	4.6189	4.2011	3.0480	2.4768	5.9427	5.1832	4.8175	1.7660	1.7577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.575	N1	C2	H7	112.547
N1	C2	H8	107.360	N1	C3	C5	110.575
N1	C3	H9	112.547	N1	C3	H10	107.360
C2	N1	C3	112.879	C2	N1	H6	109.072
C2	C4	H11	111.091	C2	C4	H12	110.684
C2	C4	H13	110.044	C3	N1	H6	109.072
C3	C5	H14	111.091	C3	C5	H15	110.684
C3	C5	H16	110.044	C4	C2	H7	109.942
C4	C2	H8	109.632	C5	C3	H8	150.803
C5	C3	H10	109.632	H7	C2	H8	106.648
H9	C3	H10	106.648	H11	C4	H12	107.848
H11	C4	H13	108.982	H12	C4	H13	108.107
H14	C5	H15	107.848	H14	C5	H16	108.982
H15	C5	H16	108.107

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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