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	hartrees
Energy at 0K	-173.239873
Energy at 298.15K	-173.250480
Nuclear repulsion energy	135.494084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3780	3401	0.16
2	A'	3297	2967	121.36
3	A'	3270	2942	105.16
4	A'	3195	2876	10.91
5	A'	3132	2819	109.44
6	A'	1832	1649	57.18
7	A'	1655	1490	11.79
8	A'	1645	1480	5.87
9	A'	1570	1412	15.00
10	A'	1519	1367	33.32
11	A'	1328	1195	14.71
12	A'	1280	1152	19.32
13	A'	1078	970	9.07
14	A'	875	788	1.75
15	A'	695	625	270.44
16	A'	510	459	26.58
17	A'	391	352	0.31
18	A'	280	252	0.20
19	A"	3903	3512	2.30
20	A"	3288	2959	2.22
21	A"	3264	2937	33.69
22	A"	3188	2869	84.96
23	A"	1638	1474	0.59
24	A"	1635	1471	2.05
25	A"	1557	1401	22.90
26	A"	1542	1388	2.32
27	A"	1360	1223	3.44
28	A"	1107	996	0.11
29	A"	1059	953	0.09
30	A"	1031	927	0.56
31	A"	429	386	5.03
32	A"	275	247	36.73
33	A"	223	201	17.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.372	0.000
N2	-1.395	-0.086	0.000
H3	0.060	1.462	0.000
C4	0.695	-0.140	1.267
C5	0.695	-0.140	-1.267
H6	-1.915	0.100	-0.832
H7	-1.915	0.100	0.832
H8	0.677	-1.223	1.289
H9	0.677	-1.223	-1.289
H10	1.727	0.194	1.304
H11	1.727	0.194	-1.304
H12	0.196	0.224	2.161
H13	0.196	0.224	-2.161

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4685	1.0919	1.5334	1.5334	2.1058	2.1058	2.1600	2.1600	2.1708	2.1708	2.1745	2.1745
N2	1.4685		2.1251	2.4448	2.4448	0.9987	0.9987	2.6920	2.6920	3.3946	3.3946	2.7010	2.7010
H3	1.0919	2.1251		2.1395	2.1395	2.5399	2.5399	3.0423	3.0423	2.4670	2.4670	2.4939	2.4939
C4	1.5334	2.4448	2.1395		2.5346	3.3582	2.6569	1.0837	2.7764	1.0850	2.7904	1.0863	3.4832
C5	1.5334	2.4448	2.1395	2.5346		2.6569	3.3582	2.7764	1.0837	2.7904	1.0850	3.4832	1.0863
H6	2.1058	0.9987	2.5399	3.3582	2.6569		1.6642	3.6010	2.9457	4.2229	3.6733	3.6644	2.4972
H7	2.1058	0.9987	2.5399	2.6569	3.3582	1.6642		2.9457	3.6010	3.6733	4.2229	2.4972	3.6644
H8	2.1600	2.6920	3.0423	1.0837	2.7764	3.6010	2.9457		2.5780	1.7639	3.1359	1.7570	3.7719
H9	2.1600	2.6920	3.0423	2.7764	1.0837	2.9457	3.6010	2.5780		3.1359	1.7639	3.7719	1.7570
H10	2.1708	3.3946	2.4670	1.0850	2.7904	4.2229	3.6733	1.7639	3.1359		2.6076	1.7546	3.7877
H11	2.1708	3.3946	2.4670	2.7904	1.0850	3.6733	4.2229	3.1359	1.7639	2.6076		3.7877	1.7546
H12	2.1745	2.7010	2.4939	1.0863	3.4832	3.6644	2.4972	1.7570	3.7719	1.7546	3.7877		4.3213
H13	2.1745	2.7010	2.4939	3.4832	1.0863	2.4972	3.6644	3.7719	1.7570	3.7877	1.7546	4.3213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	115.888	C1	N2	H7	115.888
C1	C4	H8	110.056	C1	C4	H10	110.841
C1	C4	H12	111.056	C1	C5	H9	110.056
C1	C5	H11	110.841	C1	C5	H13	111.056
N2	C1	H3	111.341	N2	C1	C4	109.038
N2	C1	C5	109.038	H3	C1	C4	107.981
H3	C1	C5	107.981	C4	C1	C5	111.472
H6	N2	H7	112.856	H8	C4	H10	108.851
H8	C4	H12	108.134	H9	C5	H11	108.851
H9	C5	H13	108.134	H10	C4	H12	107.816
H11	C5	H13	107.816

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

using model chemistry: HF/LANL2DZ

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	0.090
2	N	-0.771
3	H	0.137
4	C	-0.544
5	C	-0.544
6	H	0.302
7	H	0.302
8	H	0.188
9	H	0.188
10	H	0.162
11	H	0.162
12	H	0.164
13	H	0.164

	x	y	z	Total
	-0.157	1.258	0.000	1.268
CHELPG
AIM
ESP

	x	y	z
x	5.795	0.114	0.000
y	0.114	4.846	0.000
z	0.000	0.000	5.924

<r²>	93.798
(<r²>)^1/2	9.685

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

using model chemistry: HF/LANL2DZ

States and conformations

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