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	hartrees
Energy at 0K	-212.355016
Energy at 298.15K	-212.368030
HF Energy	-212.355016
Nuclear repulsion energy	189.222179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3391	0.96
2	A'	3252	2941	103.38
3	A'	3232	2923	159.44
4	A'	3202	2896	29.55
5	A'	3174	2871	30.03
6	A'	3099	2803	210.21
7	A'	1665	1506	0.81
8	A'	1632	1476	3.30
9	A'	1624	1469	12.05
10	A'	1573	1423	2.31
11	A'	1528	1382	0.50
12	A'	1446	1307	6.95
13	A'	1340	1212	2.20
14	A'	1274	1152	20.35
15	A'	1128	1020	7.14
16	A'	969	876	4.63
17	A'	895	809	8.90
18	A'	839	758	76.87
19	A'	452	409	0.47
20	A'	279	253	1.35
21	A'	201	182	0.80
22	A'	121	110	1.74
23	A"	3252	2941	13.64
24	A"	3229	2921	40.85
25	A"	3195	2889	3.01
26	A"	3173	2870	47.63
27	A"	3089	2794	5.65
28	A"	1667	1508	44.28
29	A"	1652	1494	0.00
30	A"	1629	1473	4.59
31	A"	1620	1465	6.55
32	A"	1547	1399	12.15
33	A"	1491	1349	28.27
34	A"	1402	1268	3.08
35	A"	1252	1133	56.24
36	A"	1215	1098	7.44
37	A"	1152	1042	0.14
38	A"	1004	908	0.71
39	A"	866	783	0.37
40	A"	458	414	0.36
41	A"	279	253	0.62
42	A"	114	103	1.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.272	0.000
C2	0.017	0.518	1.216
C3	0.017	0.518	-1.216
C4	0.017	-0.375	2.448
C5	0.017	-0.375	-2.448
H6	-0.777	-0.880	0.000
H7	-0.831	1.208	1.262
H8	0.912	1.133	1.216
H9	-0.831	1.208	-1.262
H10	0.912	1.133	-1.216
H11	0.055	0.217	3.357
H12	-0.881	-0.985	2.493
H13	0.872	-1.041	2.435
H14	0.055	0.217	-3.357
H15	-0.881	-0.985	-2.493
H16	0.872	-1.041	-2.435

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4501	1.4501	2.4506	2.4506	0.9999	2.1214	2.0620	2.1214	2.0620	3.3929	2.7441	2.6930	3.3929	2.7441	2.6930
C2	1.4501		2.4329	1.5213	3.7720	2.0157	1.0945	1.0859	2.7088	2.6640	2.1622	2.1667	2.1553	4.5837	4.1017	4.0613
C3	1.4501	2.4329		3.7720	1.5213	2.0157	2.7088	2.6640	1.0945	1.0859	4.5837	4.1017	4.0613	2.1622	2.1667	2.1553
C4	2.4506	1.5213	3.7720		4.8970	2.6230	2.1522	2.1427	4.1219	4.0624	1.0852	1.0869	1.0838	5.8360	5.0592	5.0024
C5	2.4506	3.7720	1.5213	4.8970		2.6230	4.1219	4.0624	2.1522	2.1427	5.8360	5.0592	5.0024	1.0852	1.0869	1.0838
H6	0.9999	2.0157	2.0157	2.6230	2.6230		2.4399	2.8949	2.4399	2.8949	3.6285	2.4972	2.9451	3.6285	2.4972	2.9451
H7	2.1214	1.0945	2.7088	2.1522	4.1219	2.4399		1.7456	2.5237	3.0309	2.4813	2.5152	3.0551	4.8065	4.3484	4.6502
H8	2.0620	1.0859	2.6640	2.1427	4.0624	2.8949	1.7456		3.0309	2.4325	2.4813	3.0545	2.4921	4.7424	4.6322	4.2494
H9	2.1214	2.7088	1.0945	4.1219	2.1522	2.4399	2.5237	3.0309		1.7456	4.8065	4.3484	4.6502	2.4813	2.5152	3.0551
H10	2.0620	2.6640	1.0859	4.0624	2.1427	2.8949	3.0309	2.4325	1.7456		4.7424	4.6322	4.2494	2.4813	3.0545	2.4921
H11	3.3929	2.1622	4.5837	1.0852	5.8360	3.6285	2.4813	2.4813	4.8065	4.7424		1.7518	1.7609	6.7146	6.0453	5.9836
H12	2.7441	2.1667	4.1017	1.0869	5.0592	2.4972	2.5152	3.0545	4.3484	4.6322	1.7518		1.7550	6.0453	4.9856	5.2308
H13	2.6930	2.1553	4.0613	1.0838	5.0024	2.9451	3.0551	2.4921	4.6502	4.2494	1.7609	1.7550		5.9836	5.2308	4.8703
H14	3.3929	4.5837	2.1622	5.8360	1.0852	3.6285	4.8065	4.7424	2.4813	2.4813	6.7146	6.0453	5.9836		1.7518	1.7609
H15	2.7441	4.1017	2.1667	5.0592	1.0869	2.4972	4.3484	4.6322	2.5152	3.0545	6.0453	4.9856	5.2308	1.7518		1.7550
H16	2.6930	4.0613	2.1553	5.0024	1.0838	2.9451	4.6502	4.2494	3.0551	2.4921	5.9836	5.2308	4.8703	1.7609	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.102	N1	C2	H7	112.210
N1	C2	H8	107.941	N1	C3	C5	111.102
N1	C3	H9	112.210	N1	C3	H10	107.941
C2	N1	C3	114.039	C2	N1	H6	109.337
C2	C4	H11	110.991	C2	C4	H12	111.251
C2	C4	H13	110.523	C3	N1	H6	109.337
C3	C5	H14	110.991	C3	C5	H15	111.251
C3	C5	H16	110.523	C4	C2	H7	109.646
C4	C2	H8	109.405	C5	C3	H8	151.034
C5	C3	H10	109.405	H7	C2	H8	106.381
H9	C3	H10	106.381	H11	C4	H12	107.508
H11	C4	H13	108.552	H12	C4	H13	107.889
H14	C5	H15	107.508	H14	C5	H16	108.552
H15	C5	H16	107.889

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

using model chemistry: HF/6-311G*

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	-0.609
2	C	-0.219
3	C	-0.219
4	C	-0.622
5	C	-0.622
6	H	0.309
7	H	0.171
8	H	0.202
9	H	0.171
10	H	0.202
11	H	0.206
12	H	0.195
13	H	0.217
14	H	0.206
15	H	0.195
16	H	0.217

	x	y	z	Total
	-0.884	0.489	0.000	1.010
CHELPG
AIM
ESP

	x	y	z
x	6.851	0.085	0.000
y	0.085	7.240	0.000
z	0.000	0.000	8.844

<r²>	186.655
(<r²>)^1/2	13.662

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

using model chemistry: HF/6-311G*

States and conformations

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