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	hartrees
Energy at 0K	-213.385171
Energy at 298.15K
HF Energy	-212.396266
Nuclear repulsion energy	188.823081

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.288	0.000
C2	0.017	0.517	1.214
C3	0.017	0.517	-1.214
C4	0.017	-0.368	2.451
C5	0.017	-0.368	-2.451
H6	-0.798	-0.890	0.000
H7	-0.835	1.212	1.251
H8	0.921	1.131	1.201
H9	-0.835	1.212	-1.251
H10	0.921	1.131	-1.201
H11	0.034	0.235	3.359
H12	-0.878	-0.993	2.481
H13	0.888	-1.023	2.448
H14	0.034	0.235	-3.359
H15	-0.878	-0.993	-2.481
H16	0.888	-1.023	-2.448

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4567	1.4567	2.4519	2.4519	1.0131	2.1316	2.0675	2.1316	2.0675	3.3995	2.7302	2.7003	3.3995	2.7302	2.7003
C2	1.4567		2.4281	1.5206	3.7700	2.0290	1.1009	1.0929	2.6996	2.6512	2.1635	2.1650	2.1571	4.5818	4.0909	4.0671
C3	1.4567	2.4281		3.7700	1.5206	2.0290	2.6996	2.6512	1.1009	1.0929	4.5818	4.0909	4.0671	2.1635	2.1650	2.1571
C4	2.4519	1.5206	3.7700		4.9012	2.6347	2.1596	2.1506	4.1144	4.0500	1.0905	1.0923	1.0896	5.8409	5.0510	5.0183
C5	2.4519	3.7700	1.5206	4.9012		2.6347	4.1144	4.0500	2.1596	2.1506	5.8409	5.0510	5.0183	1.0905	1.0923	1.0896
H6	1.0131	2.0290	2.0290	2.6347	2.6347		2.4467	2.9124	2.4467	2.9124	3.6385	2.4844	2.9752	3.6385	2.4844	2.9752
H7	2.1316	1.1009	2.6996	2.1596	4.1144	2.4467		1.7589	2.5023	3.0177	2.4807	2.5259	3.0660	4.7921	4.3355	4.6532
H8	2.0675	1.0929	2.6512	2.1506	4.0500	2.9124	1.7589		3.0177	2.4030	2.4993	3.0638	2.4893	4.7318	4.6163	4.2381
H9	2.1316	2.6996	1.1009	4.1144	2.1596	2.4467	2.5023	3.0177		1.7589	4.7921	4.3355	4.6532	2.4807	2.5259	3.0660
H10	2.0675	2.6512	1.0929	4.0500	2.1506	2.9124	3.0177	2.4030	1.7589		4.7318	4.6163	4.2381	2.4993	3.0638	2.4893
H11	3.3995	2.1635	4.5818	1.0905	5.8409	3.6385	2.4807	2.4993	4.7921	4.7318		1.7635	1.7729	6.7181	6.0370	6.0029
H12	2.7302	2.1650	4.0909	1.0923	5.0510	2.4844	2.5259	3.0638	4.3355	4.6163	1.7635		1.7663	6.0370	4.9619	5.2358
H13	2.7003	2.1571	4.0671	1.0896	5.0183	2.9752	3.0660	2.4893	4.6532	4.2381	1.7729	1.7663		6.0029	5.2358	4.8960
H14	3.3995	4.5818	2.1635	5.8409	1.0905	3.6385	4.7921	4.7318	2.4807	2.4993	6.7181	6.0370	6.0029		1.7635	1.7729
H15	2.7302	4.0909	2.1650	5.0510	1.0923	2.4844	4.3355	4.6163	2.5259	3.0638	6.0370	4.9619	5.2358	1.7635		1.7663
H16	2.7003	4.0671	2.1571	5.0183	1.0896	2.9752	4.6532	4.2381	3.0660	2.4893	6.0029	5.2358	4.8960	1.7729	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.862	N1	C2	H7	112.163
N1	C2	H8	107.514	N1	C3	C5	110.862
N1	C3	H9	112.163	N1	C3	H10	107.514
C2	N1	C3	112.910	C2	N1	H6	109.160
C2	C4	H11	110.831	C2	C4	H12	110.840
C2	C4	H13	110.366	C3	N1	H6	109.160
C3	C5	H14	110.831	C3	C5	H15	110.840
C3	C5	H16	110.366	C4	C2	H7	109.898
C4	C2	H8	109.661	C5	C3	H8	151.129
C5	C3	H10	109.661	H7	C2	H8	106.604
H9	C3	H10	106.604	H11	C4	H12	107.792
H11	C4	H13	108.822	H12	C4	H13	108.098
H14	C5	H15	107.792	H14	C5	H16	108.822
H15	C5	H16	108.098

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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