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	hartrees
Energy at 0K	-213.719316
Energy at 298.15K	-213.732007
HF Energy	-213.719316
Nuclear repulsion energy	188.381372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3341	1.67
2	A'	3149	3013	44.29
3	A'	3127	2992	67.25
4	A'	3064	2931	66.92
5	A'	3055	2923	8.15
6	A'	2936	2809	181.05
7	A'	1554	1487	0.85
8	A'	1526	1460	2.56
9	A'	1517	1451	13.90
10	A'	1450	1387	3.18
11	A'	1413	1352	0.40
12	A'	1334	1276	3.45
13	A'	1246	1192	1.48
14	A'	1178	1127	15.33
15	A'	1075	1029	5.93
16	A'	916	876	9.75
17	A'	833	797	1.52
18	A'	781	747	81.24
19	A'	427	409	0.27
20	A'	260	249	1.13
21	A'	186	178	0.97
22	A'	112	108	1.24
23	A"	3149	3013	11.03
24	A"	3127	2992	16.33
25	A"	3061	2929	4.94
26	A"	3054	2922	26.40
27	A"	2930	2803	14.60
28	A"	1542	1475	6.76
29	A"	1529	1463	7.82
30	A"	1522	1456	9.52
31	A"	1500	1435	17.91
32	A"	1432	1370	14.38
33	A"	1370	1311	33.22
34	A"	1296	1240	4.27
35	A"	1186	1134	48.40
36	A"	1124	1075	9.91
37	A"	1077	1030	3.78
38	A"	956	915	0.13
39	A"	815	780	0.45
40	A"	427	408	0.53
41	A"	262	250	0.69
42	A"	120	115	1.20

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.280	0.000
C2	0.017	0.517	1.217
C3	0.017	0.517	-1.217
C4	0.017	-0.372	2.453
C5	0.017	-0.372	-2.453
H6	-0.804	-0.884	0.000
H7	-0.833	1.227	1.268
H8	0.927	1.132	1.210
H9	-0.833	1.227	-1.268
H10	0.927	1.132	-1.210
H11	0.063	0.228	3.368
H12	-0.894	-0.982	2.503
H13	0.876	-1.051	2.436
H14	0.063	0.228	-3.368
H15	-0.894	-0.982	-2.503
H16	0.876	-1.051	-2.436

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4550	1.4550	2.4551	2.4551	1.0192	2.1451	2.0705	2.1451	2.0705	3.4069	2.7551	2.6955	3.4069	2.7551	2.6955
C2	1.4550		2.4348	1.5226	3.7770	2.0292	1.1089	1.0987	2.7207	2.6644	2.1708	2.1750	2.1635	4.5952	4.1136	4.0673
C3	1.4550	2.4348		3.7770	1.5226	2.0292	2.7207	2.6644	1.1089	1.0987	4.5952	4.1136	4.0673	2.1708	2.1750	2.1635
C4	2.4551	1.5226	3.7770		4.9068	2.6373	2.1650	2.1537	4.1385	4.0635	1.0955	1.0976	1.0948	5.8529	5.0767	5.0103
C5	2.4551	3.7770	1.5226	4.9068		2.6373	4.1385	4.0635	2.1650	2.1537	5.8529	5.0767	5.0103	1.0955	1.0976	1.0948
H6	1.0192	2.0292	2.0292	2.6373	2.6373		2.4623	2.9198	2.4623	2.9198	3.6516	2.5070	2.9637	3.6516	2.5070	2.9637
H7	2.1451	1.1089	2.7207	2.1650	4.1385	2.4623		1.7636	2.5352	3.0405	2.4927	2.5321	3.0783	4.8263	4.3709	4.6719
H8	2.0705	1.0987	2.6644	2.1537	4.0635	2.9198	1.7636		3.0405	2.4198	2.4948	3.0758	2.5048	4.7462	4.6451	4.2500
H9	2.1451	2.7207	1.1089	4.1385	2.1650	2.4623	2.5352	3.0405		1.7636	4.8263	4.3709	4.6719	2.4927	2.5321	3.0783
H10	2.0705	2.6644	1.0987	4.0635	2.1537	2.9198	3.0405	2.4198	1.7636		4.7462	4.6451	4.2500	2.4948	3.0758	2.5048
H11	3.4069	2.1708	4.5952	1.0955	5.8529	3.6516	2.4927	2.4948	4.8263	4.7462		1.7688	1.7798	6.7369	6.0712	5.9990
H12	2.7551	2.1750	4.1136	1.0976	5.0767	2.5070	2.5321	3.0758	4.3709	4.6451	1.7688		1.7726	6.0712	5.0069	5.2473
H13	2.6955	2.1635	4.0673	1.0948	5.0103	2.9637	3.0783	2.5048	4.6719	4.2500	1.7798	1.7726		5.9990	5.2473	4.8718
H14	3.4069	4.5952	2.1708	5.8529	1.0955	3.6516	4.8263	4.7462	2.4927	2.4948	6.7369	6.0712	5.9990		1.7688	1.7798
H15	2.7551	4.1136	2.1750	5.0767	1.0976	2.5070	4.3709	4.6451	2.5321	3.0758	6.0712	5.0069	5.2473	1.7688		1.7726
H16	2.6955	4.0673	2.1635	5.0103	1.0948	2.9637	4.6719	4.2500	3.0783	2.5048	5.9990	5.2473	4.8718	1.7798	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.064	N1	C2	H7	112.877
N1	C2	H8	107.524	N1	C3	C5	111.064
N1	C3	H9	112.877	N1	C3	H10	107.524
C2	N1	C3	113.585	C2	N1	H6	108.922
C2	C4	H11	110.975	C2	C4	H12	111.182
C2	C4	H13	110.437	C3	N1	H6	108.922
C3	C5	H14	110.975	C3	C5	H15	111.182
C3	C5	H16	110.437	C4	C2	H7	109.716
C4	C2	H8	109.431	C5	C3	H8	150.981
C5	C3	H10	109.431	H7	C2	H8	106.039
H9	C3	H10	106.039	H11	C4	H12	107.520
H11	C4	H13	108.704	H12	C4	H13	107.906
H14	C5	H15	107.520	H14	C5	H16	108.704
H15	C5	H16	107.906

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

using model chemistry: B3PW91/6-31G*

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	-0.561
2	C	-0.158
3	C	-0.158
4	C	-0.517
5	C	-0.517
6	H	0.305
7	H	0.131
8	H	0.163
9	H	0.131
10	H	0.163
11	H	0.167
12	H	0.160
13	H	0.183
14	H	0.167
15	H	0.160
16	H	0.183

	x	y	z	Total
	-0.823	0.367	0.000	0.901
CHELPG
AIM
ESP

	x	y	z
x	6.813	0.115	0.000
y	0.115	7.173	0.000
z	0.000	0.000	9.121

<r²>	186.972
(<r²>)^1/2	13.674

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

using model chemistry: B3PW91/6-31G*

States and conformations

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