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	hartrees
Energy at 0K	-212.650858
Energy at 298.15K	-212.663414
HF Energy	-212.650858
Nuclear repulsion energy	189.334059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3427	3376	0.08
2	A'	3082	3036	21.56
3	A'	3058	3012	40.86
4	A'	2979	2934	35.10
5	A'	2967	2923	32.99
6	A'	2829	2787	213.66
7	A'	1460	1438	4.62
8	A'	1435	1414	3.64
9	A'	1421	1400	26.18
10	A'	1373	1353	4.29
11	A'	1326	1306	3.50
12	A'	1260	1241	4.43
13	A'	1191	1173	4.36
14	A'	1131	1114	17.23
15	A'	1077	1061	13.36
16	A'	875	862	4.13
17	A'	796	784	1.97
18	A'	726	715	94.71
19	A'	425	418	0.40
20	A'	254	250	1.12
21	A'	179	176	1.05
22	A'	111	109	1.16
23	A"	3082	3036	9.49
24	A"	3058	3012	7.58
25	A"	2979	2934	21.54
26	A"	2970	2925	3.04
27	A"	2828	2786	26.07
28	A"	1448	1427	10.32
29	A"	1440	1419	11.51
30	A"	1428	1407	20.39
31	A"	1412	1390	25.60
32	A"	1347	1327	31.40
33	A"	1294	1275	15.64
34	A"	1224	1206	3.60
35	A"	1197	1179	43.26
36	A"	1079	1063	2.94
37	A"	1045	1029	12.57
38	A"	937	922	0.12
39	A"	781	769	0.28
40	A"	418	411	0.58
41	A"	256	252	0.80
42	A"	122	120	1.34

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.272	0.000
C2	0.017	0.512	1.207
C3	0.017	0.512	-1.207
C4	0.017	-0.369	2.430
C5	0.017	-0.369	-2.430
H6	-0.772	-0.931	0.000
H7	-0.843	1.229	1.252
H8	0.930	1.140	1.195
H9	-0.843	1.229	-1.252
H10	0.930	1.140	-1.195
H11	0.050	0.228	3.356
H12	-0.896	-0.991	2.471
H13	0.886	-1.048	2.414
H14	0.050	0.228	-3.356
H15	-0.896	-0.991	-2.471
H16	0.886	-1.048	-2.414

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4393	1.4393	2.4317	2.4317	1.0277	2.1352	2.0627	2.1352	2.0627	3.3930	2.7307	2.6803	3.3930	2.7307	2.6803
C2	1.4393		2.4138	1.5070	3.7418	2.0398	1.1201	1.1085	2.7014	2.6449	2.1677	2.1656	2.1552	4.5716	4.0768	4.0372
C3	1.4393	2.4138		3.7418	1.5070	2.0398	2.7014	2.6449	1.1201	1.1085	4.5716	4.0768	4.0372	2.1677	2.1656	2.1552
C4	2.4317	1.5070	3.7418		4.8596	2.6158	2.1630	2.1530	4.1043	4.0305	1.1023	1.1054	1.1029	5.8163	5.0241	4.9678
C5	2.4317	3.7418	1.5070	4.8596		2.6158	4.1043	4.0305	2.1630	2.1530	5.8163	5.0241	4.9678	1.1023	1.1054	1.1029
H6	1.0277	2.0398	2.0398	2.6158	2.6158		2.4974	2.9347	2.4974	2.9347	3.6444	2.4752	2.9309	3.6444	2.4752	2.9309
H7	2.1352	1.1201	2.7014	2.1630	4.1043	2.4974		1.7762	2.5036	3.0226	2.4950	2.5332	3.0856	4.7987	4.3349	4.6485
H8	2.0627	1.1085	2.6449	2.1530	4.0305	2.9347	1.7762		3.0226	2.3891	2.5051	3.0829	2.5046	4.7233	4.6166	4.2200
H9	2.1352	2.7014	1.1201	4.1043	2.1630	2.4974	2.5036	3.0226		1.7762	4.7987	4.3349	4.6485	2.4950	2.5332	3.0856
H10	2.0627	2.6449	1.1085	4.0305	2.1530	2.9347	3.0226	2.3891	1.7762		4.7233	4.6166	4.2200	2.5051	3.0829	2.5046
H11	3.3930	2.1677	4.5716	1.1023	5.8163	3.6444	2.4950	2.5051	4.7987	4.7233		1.7788	1.7924	6.7115	6.0280	5.9680
H12	2.7307	2.1656	4.0768	1.1054	5.0241	2.4752	2.5332	3.0829	4.3349	4.6166	1.7788		1.7836	6.0280	4.9427	5.2005
H13	2.6803	2.1552	4.0372	1.1029	4.9678	2.9309	3.0856	2.5046	4.6485	4.2200	1.7924	1.7836		5.9680	5.2005	4.8282
H14	3.3930	4.5716	2.1677	5.8163	1.1023	3.6444	4.7987	4.7233	2.4950	2.5051	6.7115	6.0280	5.9680		1.7788	1.7924
H15	2.7307	4.0768	2.1656	5.0241	1.1054	2.4752	4.3349	4.6166	2.5332	3.0829	6.0280	4.9427	5.2005	1.7788		1.7836
H16	2.6803	4.0372	2.1552	4.9678	1.1029	2.9309	4.6485	4.2200	3.0856	2.5046	5.9680	5.2005	4.8282	1.7924	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.228	N1	C2	H7	112.482
N1	C2	H8	107.403	N1	C3	C5	111.228
N1	C3	H9	112.482	N1	C3	H10	107.403
C2	N1	C3	113.973	C2	N1	H6	110.438
C2	C4	H11	111.417	C2	C4	H12	111.060
C2	C4	H13	110.380	C3	N1	H6	110.438
C3	C5	H14	111.417	C3	C5	H15	111.060
C3	C5	H16	110.380	C4	C2	H7	109.973
C4	C2	H8	109.870	C5	C3	H8	151.097
C5	C3	H10	109.870	H7	C2	H8	105.686
H9	C3	H10	105.686	H11	C4	H12	107.360
H11	C4	H13	108.749	H12	C4	H13	107.740
H14	C5	H15	107.360	H14	C5	H16	108.749
H15	C5	H16	107.740

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	N	-0.335
2	C	-0.140
3	C	-0.140
4	C	-0.724
5	C	-0.724
6	H	0.289
7	H	0.152
8	H	0.169
9	H	0.152
10	H	0.169
11	H	0.183
12	H	0.178
13	H	0.205
14	H	0.183
15	H	0.178
16	H	0.205

	x	y	z	Total
	-0.792	0.303	0.000	0.848
CHELPG
AIM
ESP

	x	y	z
x	8.076	-0.285	0.000
y	-0.285	8.972	0.000
z	0.000	0.000	10.733

<r²>	185.269
(<r²>)^1/2	13.611

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

using model chemistry: LSDA/6-31+G**

States and conformations

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