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	hartrees
Energy at 0K	-174.440836
Energy at 298.15K	-174.451208
Nuclear repulsion energy	134.940232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3523	3389	1.53
2	A'	3135	3016	67.28
3	A'	3110	2992	60.12
4	A'	3041	2925	4.32
5	A'	2898	2788	111.02
6	A'	1705	1640	34.35
7	A'	1553	1494	6.73
8	A'	1540	1482	5.14
9	A'	1458	1403	9.59
10	A'	1405	1351	39.06
11	A'	1234	1187	10.59
12	A'	1185	1140	9.58
13	A'	1003	965	5.50
14	A'	828	796	0.80
15	A'	621	597	214.89
16	A'	484	466	30.43
17	A'	368	354	0.19
18	A'	262	252	0.15
19	A"	3639	3501	0.14
20	A"	3128	3009	0.80
21	A"	3106	2988	21.07
22	A"	3036	2921	51.94
23	A"	1534	1476	0.16
24	A"	1530	1472	1.50
25	A"	1442	1387	4.25
26	A"	1428	1374	16.97
27	A"	1272	1224	0.69
28	A"	1035	996	0.45
29	A"	990	952	0.03
30	A"	960	923	0.56
31	A"	410	394	5.88
32	A"	270	260	36.58
33	A"	215	207	13.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.372	0.000
N2	-1.395	-0.092	0.000
H3	0.076	1.479	0.000
C4	0.694	-0.141	1.270
C5	0.694	-0.141	-1.270
H6	-1.917	0.128	-0.841
H7	-1.917	0.128	0.841
H8	0.671	-1.236	1.290
H9	0.671	-1.236	-1.290
H10	1.736	0.194	1.308
H11	1.736	0.194	-1.308
H12	0.189	0.228	2.172
H13	0.189	0.228	-2.172

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4696	1.1097	1.5352	1.5352	2.1075	2.1075	2.1684	2.1684	2.1810	2.1810	2.1848	2.1848
N2	1.4696		2.1517	2.4445	2.4445	1.0142	1.0142	2.6909	2.6909	3.4051	3.4051	2.7068	2.7068
H3	1.1097	2.1517		2.1494	2.1494	2.5504	2.5504	3.0647	3.0647	2.4733	2.4733	2.5090	2.5090
C4	1.5352	2.4445	2.1494		2.5391	3.3680	2.6593	1.0954	2.7842	1.0960	2.8004	1.0977	3.4977
C5	1.5352	2.4445	2.1494	2.5391		2.6593	3.3680	2.7842	1.0954	2.8004	1.0960	3.4977	1.0977
H6	2.1075	1.0142	2.5504	3.3680	2.6593		1.6823	3.6195	2.9597	4.2389	3.6835	3.6774	2.4932
H7	2.1075	1.0142	2.5504	2.6593	3.3680	1.6823		2.9597	3.6195	3.6835	4.2389	2.4932	3.6774
H8	2.1684	2.6909	3.0647	1.0954	2.7842	3.6195	2.9597		2.5804	1.7842	3.1516	1.7757	3.7896
H9	2.1684	2.6909	3.0647	2.7842	1.0954	2.9597	3.6195	2.5804		3.1516	1.7842	3.7896	1.7757
H10	2.1810	3.4051	2.4733	1.0960	2.8004	4.2389	3.6835	1.7842	3.1516		2.6155	1.7724	3.8082
H11	2.1810	3.4051	2.4733	2.8004	1.0960	3.6835	4.2389	3.1516	1.7842	2.6155		3.8082	1.7724
H12	2.1848	2.7068	2.5090	1.0977	3.4977	3.6774	2.4932	1.7757	3.7896	1.7724	3.8082		4.3435
H13	2.1848	2.7068	2.5090	3.4977	1.0977	2.4932	3.6774	3.7896	1.7757	3.8082	1.7724	4.3435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.856	C1	N2	H7	114.856
C1	C4	H8	109.903	C1	C4	H10	110.868
C1	C4	H12	111.059	C1	C5	H9	109.903
C1	C5	H11	110.868	C1	C5	H13	111.059
N2	C1	H3	112.320	N2	C1	C4	108.865
N2	C1	C5	108.865	H3	C1	C4	107.622
H3	C1	C5	107.622	C4	C1	C5	111.574
H6	N2	H7	112.066	H8	C4	H10	109.011
H8	C4	H12	108.128	H9	C5	H11	109.011
H9	C5	H13	108.128	H10	C4	H12	107.791
H11	C5	H13	107.791

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

using model chemistry: B3LYP/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	C	0.043
2	N	-0.698
3	H	0.100
4	C	-0.388
5	C	-0.388
6	H	0.272
7	H	0.272
8	H	0.146
9	H	0.146
10	H	0.126
11	H	0.126
12	H	0.121
13	H	0.121

	x	y	z	Total
	-0.304	1.173	0.000	1.212
CHELPG
AIM
ESP

	x	y	z
x	6.254	0.094	0.000
y	0.094	5.107	0.000
z	0.000	0.000	6.269

<r²>	93.959
(<r²>)^1/2	9.693

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

using model chemistry: B3LYP/6-31G

States and conformations

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