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	hartrees
Energy at 0K	-209.776661
Energy at 298.15K	-209.789367
HF Energy	-209.776661
Nuclear repulsion energy	186.839508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3969	3241	4.92
2	A'	3762	3072	1.60
3	A'	3752	3064	3.49
4	A'	3691	3014	11.33
5	A'	3572	2916	0.74
6	A'	3563	2909	23.00
7	A'	1850	1510	0.41
8	A'	1829	1493	1.32
9	A'	1826	1491	4.13
10	A'	1744	1424	0.07
11	A'	1677	1369	1.85
12	A'	1541	1258	4.02
13	A'	1453	1186	3.55
14	A'	1364	1114	17.10
15	A'	1250	1021	0.83
16	A'	1082	884	14.19
17	A'	979	799	7.00
18	A'	914	746	41.03
19	A'	471	385	0.42
20	A'	245	200	1.87
21	A'	208	169	0.91
22	A'	117	95	2.24
23	A"	3762	3071	0.45
24	A"	3752	3064	0.49
25	A"	3691	3014	0.01
26	A"	3572	2916	2.23
27	A"	3563	2909	1.44
28	A"	1847	1508	2.68
29	A"	1829	1493	0.06
30	A"	1825	1490	2.11
31	A"	1787	1459	13.61
32	A"	1732	1414	0.06
33	A"	1620	1323	52.15
34	A"	1512	1235	0.77
35	A"	1354	1106	3.60
36	A"	1286	1050	3.68
37	A"	1252	1022	2.81
38	A"	1113	909	0.07
39	A"	937	765	0.67
40	A"	462	377	0.44
41	A"	244	199	0.45
42	A"	118	97	0.78

Atom	x (Å)	y (Å)	z (Å)
N1	0.019	-0.315	0.000
C2	0.019	0.523	1.229
C3	0.019	0.523	-1.229
C4	0.019	-0.366	2.487
C5	0.019	-0.366	-2.487
H6	-0.862	-0.857	0.000
H7	-0.836	1.208	1.262
H8	0.922	1.134	1.216
H9	-0.836	1.208	-1.262
H10	0.922	1.134	-1.216
H11	0.057	0.247	3.382
H12	-0.881	-0.974	2.528
H13	0.879	-1.028	2.480
H14	0.057	0.247	-3.382
H15	-0.881	-0.974	-2.528
H16	0.879	-1.028	-2.480

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4874	1.4874	2.4879	2.4879	1.0338	2.1542	2.0964	2.1542	2.0964	3.4290	2.7626	2.7205	3.4290	2.7626	2.7205
C2	1.4874		2.4581	1.5409	3.8213	2.0468	1.0958	1.0908	2.7208	2.6776	2.1714	2.1761	2.1706	4.6199	4.1427	4.1116
C3	1.4874	2.4581		3.8213	1.5409	2.0468	2.7208	2.6776	1.0958	1.0908	4.6199	4.1427	4.1116	2.1714	2.1761	2.1706
C4	2.4879	1.5409	3.8213		4.9747	2.6837	2.1705	2.1641	4.1549	4.0969	1.0858	1.0861	1.0853	5.9019	5.1311	5.0850
C5	2.4879	3.8213	1.5409	4.9747		2.6837	4.1549	4.0969	2.1705	2.1641	5.9019	5.1311	5.0850	1.0858	1.0861	1.0853
H6	1.0338	2.0468	2.0468	2.6837	2.6837		2.4197	2.9369	2.4197	2.9369	3.6748	2.5304	3.0350	3.6748	2.5304	3.0350
H7	2.1542	1.0958	2.7208	2.1705	4.1549	2.4197		1.7604	2.5231	3.0393	2.4938	2.5226	3.0701	4.8258	4.3725	4.6843
H8	2.0964	1.0908	2.6776	2.1641	4.0969	2.9369	1.7604		3.0393	2.4326	2.4954	3.0681	2.5049	4.7627	4.6595	4.2828
H9	2.1542	2.7208	1.0958	4.1549	2.1705	2.4197	2.5231	3.0393		1.7604	4.8258	4.3725	4.6843	2.4938	2.5226	3.0701
H10	2.0964	2.6776	1.0908	4.0969	2.1641	2.9369	3.0393	2.4326	1.7604		4.7627	4.6595	4.2828	2.4954	3.0681	2.5049
H11	3.4290	2.1714	4.6199	1.0858	5.9019	3.6748	2.4938	2.4954	4.8258	4.7627		1.7610	1.7648	6.7649	6.1073	6.0560
H12	2.7626	2.1761	4.1427	1.0861	5.1311	2.5304	2.5226	3.0681	4.3725	4.6595	1.7610		1.7612	6.1073	5.0553	5.3085
H13	2.7205	2.1706	4.1116	1.0853	5.0850	3.0350	3.0701	2.5049	4.6843	4.2828	1.7648	1.7612		6.0560	5.3085	4.9609
H14	3.4290	4.6199	2.1714	5.9019	1.0858	3.6748	4.8258	4.7627	2.4938	2.4954	6.7649	6.1073	6.0560		1.7610	1.7648
H15	2.7626	4.1427	2.1761	5.1311	1.0861	2.5304	4.3725	4.6595	2.5226	3.0681	6.1073	5.0553	5.3085	1.7610		1.7612
H16	2.7205	4.1116	2.1706	5.0850	1.0853	3.0350	4.6843	4.2828	3.0701	2.5049	6.0560	5.3085	4.9609	1.7648	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.470	N1	C2	H7	112.117
N1	C2	H8	107.816	N1	C3	C5	110.470
N1	C3	H9	112.117	N1	C3	H10	107.816
C2	N1	C3	111.439	C2	N1	H6	107.180
C2	C4	H11	110.312	C2	C4	H12	110.674
C2	C4	H13	110.283	C3	N1	H6	107.180
C3	C5	H14	110.312	C3	C5	H15	110.674
C3	C5	H16	110.283	C4	C2	H7	109.657
C4	C2	H8	109.445	C5	C3	H8	151.349
C5	C3	H10	109.445	H7	C2	H8	107.238
H9	C3	H10	107.238	H11	C4	H12	108.347
H11	C4	H13	108.755	H12	C4	H13	108.407
H14	C5	H15	108.347	H14	C5	H16	108.755
H15	C5	H16	108.407

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

using model chemistry: HF/STO-3G

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	-0.324
2	C	-0.015
3	C	-0.015
4	C	-0.179
5	C	-0.179
6	H	0.140
7	H	0.041
8	H	0.059
9	H	0.041
10	H	0.059
11	H	0.060
12	H	0.056
13	H	0.069
14	H	0.060
15	H	0.056
16	H	0.069

	x	y	z	Total
	-1.005	0.720	0.000	1.236
CHELPG
AIM
ESP

	x	y	z
x	3.443	0.262	0.000
y	0.262	3.529	0.000
z	0.000	0.000	4.610

<r²>	189.185
(<r²>)^1/2	13.754

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

using model chemistry: HF/STO-3G

States and conformations

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