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	hartrees
Energy at 0K	-213.430510
Energy at 298.15K	-213.443224
HF Energy	-212.396386
Nuclear repulsion energy	189.739705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3527	3355	0.32
2	A'	3169	3015	28.98
3	A'	3151	2998	44.76
4	A'	3092	2942	40.54
5	A'	3078	2929	8.65
6	A'	2986	2841	147.66
7	A'	1544	1469	2.60
8	A'	1525	1451	2.58
9	A'	1518	1444	14.09
10	A'	1439	1369	3.27
11	A'	1405	1337	1.02
12	A'	1339	1274	4.17
13	A'	1245	1185	1.66
14	A'	1182	1125	11.45
15	A'	1092	1039	7.91
16	A'	912	868	4.58
17	A'	834	793	1.88
18	A'	762	725	68.20
19	A'	429	408	0.31
20	A'	254	242	1.29
21	A'	185	176	0.88
22	A'	112	107	1.34
23	A"	3169	3015	6.38
24	A"	3151	2998	13.15
25	A"	3092	2942	1.35
26	A"	3078	2928	26.85
27	A"	2985	2840	11.89
28	A"	1533	1458	0.29
29	A"	1524	1450	1.24
30	A"	1519	1445	6.48
31	A"	1483	1411	30.83
32	A"	1420	1351	12.32
33	A"	1366	1300	19.63
34	A"	1304	1241	3.23
35	A"	1188	1130	47.32
36	A"	1127	1073	6.09
37	A"	1082	1029	3.60
38	A"	961	914	0.29
39	A"	810	771	0.64
40	A"	428	407	0.41
41	A"	256	244	0.55
42	A"	109	103	0.91

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.514	1.207
C3	0.017	0.514	-1.207
C4	0.017	-0.365	2.436
C5	0.017	-0.365	-2.436
H6	-0.797	-0.892	0.000
H7	-0.832	1.210	1.242
H8	0.922	1.122	1.191
H9	-0.832	1.210	-1.242
H10	0.922	1.122	-1.191
H11	0.040	0.236	3.342
H12	-0.879	-0.983	2.468
H13	0.883	-1.021	2.426
H14	0.040	0.236	-3.342
H15	-0.879	-0.983	-2.468
H16	0.883	-1.021	-2.426

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4501	1.4501	2.4377	2.4377	1.0133	2.1242	2.0565	2.1242	2.0565	3.3834	2.7160	2.6783	3.3834	2.7160	2.6783
C2	1.4501		2.4149	1.5111	3.7484	2.0245	1.0986	1.0901	2.6847	2.6349	2.1532	2.1527	2.1431	4.5584	4.0688	4.0388
C3	1.4501	2.4149		3.7484	1.5111	2.0245	2.6847	2.6349	1.0986	1.0901	4.5584	4.0688	4.0388	2.1532	2.1527	2.1431
C4	2.4377	1.5111	3.7484		4.8730	2.6225	2.1513	2.1402	4.0911	4.0239	1.0873	1.0889	1.0863	5.8101	5.0240	4.9828
C5	2.4377	3.7484	1.5111	4.8730		2.6225	4.0911	4.0239	2.1513	2.1402	5.8101	5.0240	4.9828	1.0873	1.0889	1.0863
H6	1.0133	2.0245	2.0245	2.6225	2.6225		2.4426	2.9038	2.4426	2.9038	3.6257	2.4712	2.9539	3.6257	2.4712	2.9539
H7	2.1242	1.0986	2.6847	2.1513	4.0911	2.4426		1.7566	2.4850	3.0012	2.4739	2.5133	3.0531	4.7678	4.3109	4.6240
H8	2.0565	1.0901	2.6349	2.1402	4.0239	2.9038	1.7566		3.0012	2.3828	2.4878	3.0504	2.4742	4.7030	4.5899	4.2054
H9	2.1242	2.6847	1.0986	4.0911	2.1513	2.4426	2.4850	3.0012		1.7566	4.7678	4.3109	4.6240	2.4739	2.5133	3.0531
H10	2.0565	2.6349	1.0901	4.0239	2.1402	2.9038	3.0012	2.3828	1.7566		4.7030	4.5899	4.2054	2.4878	3.0504	2.4742
H11	3.3834	2.1532	4.5584	1.0873	5.8101	3.6257	2.4739	2.4878	4.7678	4.7030		1.7593	1.7688	6.6848	6.0079	5.9640
H12	2.7160	2.1527	4.0688	1.0889	5.0240	2.4712	2.5133	3.0504	4.3109	4.5899	1.7593		1.7621	6.0079	4.9364	5.2020
H13	2.6783	2.1431	4.0388	1.0863	4.9828	2.9539	3.0531	2.4742	4.6240	4.2054	1.7688	1.7621		5.9640	5.2020	4.8529
H14	3.3834	4.5584	2.1532	5.8101	1.0873	3.6257	4.7678	4.7030	2.4739	2.4878	6.6848	6.0079	5.9640		1.7593	1.7688
H15	2.7160	4.0688	2.1527	5.0240	1.0889	2.4712	4.3109	4.5899	2.5133	3.0504	6.0079	4.9364	5.2020	1.7593		1.7621
H16	2.6783	4.0388	2.1431	4.9828	1.0863	2.9539	4.6240	4.2054	3.0531	2.4742	5.9640	5.2020	4.8529	1.7688	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.801	N1	C2	H7	112.179
N1	C2	H8	107.259	N1	C3	C5	110.801
N1	C3	H9	112.179	N1	C3	H10	107.259
C2	N1	C3	112.749	C2	N1	H6	109.258
C2	C4	H11	110.871	C2	C4	H12	110.740
C2	C4	H13	110.120	C3	N1	H6	109.258
C3	C5	H14	110.871	C3	C5	H15	110.740
C3	C5	H16	110.120	C4	C2	H7	110.041
C4	C2	H8	109.664	C5	C3	H8	151.019
C5	C3	H10	109.664	H7	C2	H8	106.757
H9	C3	H10	106.757	H11	C4	H12	107.889
H11	C4	H13	108.931	H12	C4	H13	108.210
H14	C5	H15	107.889	H14	C5	H16	108.931
H15	C5	H16	108.210

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

using model chemistry: MP2=FULL/aug-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/aug-cc-pVTZ

States and conformations

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