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	hartrees
Energy at 0K	-173.896671
Energy at 298.15K	-173.907278
HF Energy	-173.284195
Nuclear repulsion energy	135.415433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3467	3274	2.44
2	A'	3156	2980	52.26
3	A'	3136	2962	46.89
4	A'	3066	2895	4.05
5	A'	2972	2806	72.25
6	A'	1726	1630	36.26
7	A'	1560	1473	6.19
8	A'	1548	1461	2.92
9	A'	1471	1389	15.33
10	A'	1428	1348	16.09
11	A'	1249	1179	4.19
12	A'	1202	1135	23.30
13	A'	1036	979	8.60
14	A'	929	877	122.88
15	A'	847	800	1.14
16	A'	487	460	11.81
17	A'	376	355	0.13
18	A'	280	264	0.29
19	A"	3554	3356	1.34
20	A"	3151	2975	0.87
21	A"	3133	2959	19.92
22	A"	3062	2892	36.74
23	A"	1540	1455	0.16
24	A"	1539	1453	0.52
25	A"	1477	1395	16.14
26	A"	1436	1356	0.17
27	A"	1304	1232	0.04
28	A"	1077	1017	1.00
29	A"	995	939	0.42
30	A"	957	904	0.21
31	A"	414	391	6.69
32	A"	311	294	44.10
33	A"	232	219	6.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.221	0.000
N2	-0.917	1.050	0.000
H3	1.223	0.824	0.000
C4	0.294	-0.640	1.260
C5	0.294	-0.640	-1.260
H6	-0.923	1.660	-0.818
H7	-0.923	1.660	0.818
H8	-0.604	-1.269	1.280
H9	-0.604	-1.269	-1.280
H10	1.182	-1.285	1.293
H11	1.182	-1.285	-1.293
H12	0.296	-0.016	2.164
H13	0.296	-0.016	-2.164

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4685	1.1072	1.5264	1.5264	2.0545	2.0545	2.1599	2.1599	2.1743	2.1743	2.1768	2.1768
N2	1.4685		2.1520	2.4321	2.4321	1.0200	1.0200	2.6677	2.6677	3.3961	3.3961	2.7001	2.7001
H3	1.1072	2.1520		2.1436	2.1436	2.4436	2.4436	3.0590	3.0590	2.4744	2.4744	2.4995	2.4995
C4	1.5264	2.4321	2.1436		2.5204	3.3303	2.6394	1.0968	2.7666	1.0973	2.7792	1.0986	3.4807
C5	1.5264	2.4321	2.1436	2.5204		2.6394	3.3303	2.7666	1.0968	2.7792	1.0973	3.4807	1.0986
H6	2.0545	1.0200	2.4436	3.3303	2.6394		1.6364	3.6167	2.9819	4.1903	3.6504	3.6310	2.4703
H7	2.0545	1.0200	2.4436	2.6394	3.3303	1.6364		2.9819	3.6167	3.6504	4.1903	2.4703	3.6310
H8	2.1599	2.6677	3.0590	1.0968	2.7666	3.6167	2.9819		2.5597	1.7861	3.1323	1.7783	3.7736
H9	2.1599	2.6677	3.0590	2.7666	1.0968	2.9819	3.6167	2.5597		3.1323	1.7861	3.7736	1.7783
H10	2.1743	3.3961	2.4744	1.0973	2.7792	4.1903	3.6504	1.7861	3.1323		2.5868	1.7760	3.7881
H11	2.1743	3.3961	2.4744	2.7792	1.0973	3.6504	4.1903	3.1323	1.7861	2.5868		3.7881	1.7760
H12	2.1768	2.7001	2.4995	1.0986	3.4807	3.6310	2.4703	1.7783	3.7736	1.7760	3.7881		4.3279
H13	2.1768	2.7001	2.4995	3.4807	1.0986	2.4703	3.6310	3.7736	1.7783	3.7881	1.7760	4.3279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.990	C1	N2	H7	109.990
C1	C4	H8	109.771	C1	C4	H10	110.874
C1	C4	H12	110.997	C1	C5	H9	109.771
C1	C5	H11	110.874	C1	C5	H13	110.997
N2	C1	H3	112.585	N2	C1	C4	108.586
N2	C1	C5	108.586	H3	C1	C4	107.907
H3	C1	C5	107.907	C4	C1	C5	111.301
H6	N2	H7	106.674	H8	C4	H10	108.985
H8	C4	H12	108.194	H9	C5	H11	108.985
H9	C5	H13	108.194	H10	C4	H12	107.944
H11	C5	H13	107.944

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)

using model chemistry: CCSD/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 CH3CH(NH2)CH3 (2-Propanamine)

using model chemistry: CCSD/6-31G*

States and conformations

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)