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	hartrees
Energy at 0K	-212.936377
Energy at 298.15K	-212.949289
HF Energy	-212.313773
Nuclear repulsion energy	189.153596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3626	3350	0.29
2	A'	3255	3007	48.68
3	A'	3232	2986	71.39
4	A'	3184	2941	48.97
5	A'	3161	2920	14.68
6	A'	3076	2841	151.09
7	A'	1630	1505	0.49
8	A'	1596	1474	2.95
9	A'	1588	1467	11.73
10	A'	1531	1414	2.79
11	A'	1488	1374	0.52
12	A'	1397	1291	4.69
13	A'	1311	1211	2.16
14	A'	1242	1148	17.94
15	A'	1127	1041	5.81
16	A'	956	883	8.47
17	A'	875	808	5.95
18	A'	827	764	78.39
19	A'	447	413	0.45
20	A'	275	254	1.49
21	A'	197	182	0.96
22	A'	119	110	1.64
23	A"	3255	3007	8.80
24	A"	3232	2985	19.44
25	A"	3179	2937	0.68
26	A"	3159	2918	29.90
27	A"	3070	2835	6.88
28	A"	1618	1495	6.86
29	A"	1605	1482	15.15
30	A"	1593	1471	7.41
31	A"	1576	1456	22.44
32	A"	1511	1396	12.60
33	A"	1446	1336	24.25
34	A"	1360	1256	3.09
35	A"	1241	1146	41.89
36	A"	1182	1092	7.92
37	A"	1130	1044	3.50
38	A"	1000	924	0.23
39	A"	850	786	0.55
40	A"	450	415	0.56
41	A"	275	254	0.66
42	A"	116	107	1.25

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.279	0.000
C2	0.017	0.519	1.214
C3	0.017	0.519	-1.214
C4	0.017	-0.373	2.443
C5	0.017	-0.373	-2.443
H6	-0.799	-0.878	0.000
H7	-0.831	1.217	1.259
H8	0.920	1.130	1.208
H9	-0.831	1.217	-1.259
H10	0.920	1.130	-1.208
H11	0.054	0.221	3.355
H12	-0.885	-0.985	2.482
H13	0.876	-1.040	2.424
H14	0.054	0.221	-3.355
H15	-0.885	-0.985	-2.482
H16	0.876	-1.040	-2.424

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4527	1.4527	2.4450	2.4450	1.0122	2.1313	2.0641	2.1313	2.0641	3.3926	2.7339	2.6822	3.3926	2.7339	2.6822
C2	1.4527		2.4282	1.5185	3.7644	2.0225	1.0994	1.0909	2.7061	2.6560	2.1622	2.1640	2.1522	4.5793	4.0913	4.0503
C3	1.4527	2.4282		3.7644	1.5185	2.0225	2.7061	2.6560	1.0994	1.0909	4.5793	4.0913	4.0503	2.1622	2.1640	2.1522
C4	2.4450	1.5185	3.7644		4.8864	2.6248	2.1563	2.1455	4.1175	4.0503	1.0891	1.0906	1.0878	5.8290	5.0447	4.9875
C5	2.4450	3.7644	1.5185	4.8864		2.6248	4.1175	4.0503	2.1563	2.1455	5.8290	5.0447	4.9875	1.0891	1.0906	1.0878
H6	1.0122	2.0225	2.0225	2.6248	2.6248		2.4444	2.9065	2.4444	2.9065	3.6322	2.4862	2.9512	3.6322	2.4862	2.9512
H7	2.1313	1.0994	2.7061	2.1563	4.1175	2.4444		1.7540	2.5181	3.0263	2.4840	2.5195	3.0604	4.8030	4.3416	4.6449
H8	2.0641	1.0909	2.6560	2.1455	4.0503	2.9065	1.7540		3.0263	2.4152	2.4881	3.0592	2.4886	4.7327	4.6205	4.2312
H9	2.1313	2.7061	1.0994	4.1175	2.1563	2.4444	2.5181	3.0263		1.7540	4.8030	4.3416	4.6449	2.4840	2.5195	3.0604
H10	2.0641	2.6560	1.0909	4.0503	2.1455	2.9065	3.0263	2.4152	1.7540		4.7327	4.6205	4.2312	2.4881	3.0592	2.4886
H11	3.3926	2.1622	4.5793	1.0891	5.8290	3.6322	2.4840	2.4881	4.8030	4.7327		1.7600	1.7698	6.7107	6.0345	5.9724
H12	2.7339	2.1640	4.0913	1.0906	5.0447	2.4862	2.5195	3.0592	4.3416	4.6205	1.7600		1.7630	6.0345	4.9648	5.2135
H13	2.6822	2.1522	4.0503	1.0878	4.9875	2.9512	3.0604	2.4886	4.6449	4.2312	1.7698	1.7630		5.9724	5.2135	4.8486
H14	3.3926	4.5793	2.1622	5.8290	1.0891	3.6322	4.8030	4.7327	2.4840	2.4881	6.7107	6.0345	5.9724		1.7600	1.7698
H15	2.7339	4.0913	2.1640	5.0447	1.0906	2.4862	4.3416	4.6205	2.5195	3.0592	6.0345	4.9648	5.2135	1.7600		1.7630
H16	2.6822	4.0503	2.1522	4.9875	1.0878	2.9512	4.6449	4.2312	3.0604	2.4886	5.9724	5.2135	4.8486	1.7698	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.731	N1	C2	H7	112.515
N1	C2	H8	107.639	N1	C3	C5	110.731
N1	C3	H9	112.515	N1	C3	H10	107.639
C2	N1	C3	113.390	C2	N1	H6	108.962
C2	C4	H11	110.958	C2	C4	H12	111.013
C2	C4	H13	110.239	C3	N1	H6	108.962
C3	C5	H14	110.958	C3	C5	H15	111.013
C3	C5	H16	110.239	C4	C2	H7	109.870
C4	C2	H8	109.525	C5	C3	H8	150.840
C5	C3	H10	109.525	H7	C2	H8	106.413
H9	C3	H10	106.413	H11	C4	H12	107.695
H11	C4	H13	108.779	H12	C4	H13	108.058
H14	C5	H15	107.695	H14	C5	H16	108.779
H15	C5	H16	108.058

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

using model chemistry: CID/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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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: CID/6-31G*

States and conformations

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