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	hartrees
Energy at 0K	-172.711177
Energy at 298.15K	-172.721773
HF Energy	-172.325334
Nuclear repulsion energy	134.497019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3405	3250	4.24
2	A'	3178	3034	41.03
3	A'	3150	3006	39.65
4	A'	3081	2940	2.50
5	A'	2991	2855	69.39
6	A'	1751	1672	21.62
7	A'	1613	1540	7.81
8	A'	1597	1524	3.50
9	A'	1492	1425	8.30
10	A'	1432	1367	24.55
11	A'	1262	1205	7.24
12	A'	1187	1133	5.80
13	A'	1021	975	12.08
14	A'	826	789	76.55
15	A'	803	767	78.47
16	A'	475	454	15.24
17	A'	379	362	0.31
18	A'	282	269	0.37
19	A"	3507	3347	2.31
20	A"	3173	3029	1.21
21	A"	3146	3003	15.26
22	A"	3078	2938	31.74
23	A"	1594	1521	0.02
24	A"	1588	1516	1.67
25	A"	1476	1409	2.41
26	A"	1461	1395	14.68
27	A"	1314	1254	0.00
28	A"	1068	1020	1.51
29	A"	1006	961	0.37
30	A"	976	932	0.13
31	A"	405	386	6.93
32	A"	300	286	48.62
33	A"	242	231	8.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.392	0.000
N2	-1.400	-0.138	0.000
H3	0.053	1.496	0.000
C4	0.699	-0.135	1.270
C5	0.699	-0.135	-1.270
H6	-1.907	0.176	-0.834
H7	-1.907	0.176	0.834
H8	0.642	-1.228	1.268
H9	0.642	-1.228	-1.268
H10	1.747	0.181	1.294
H11	1.747	0.181	-1.294
H12	0.200	0.241	2.171
H13	0.200	0.241	-2.171

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4969	1.1046	1.5424	1.5424	2.0926	2.0926	2.1550	2.1550	2.1839	2.1839	2.1859	2.1859
N2	1.4969		2.1860	2.4526	2.4526	1.0253	1.0253	2.6388	2.6388	3.4170	3.4170	2.7237	2.7237
H3	1.1046	2.1860		2.1656	2.1656	2.5056	2.5056	3.0612	3.0612	2.5043	2.5043	2.5120	2.5120
C4	1.5424	2.4526	2.1656		2.5400	3.3633	2.6599	1.0938	2.7637	1.0952	2.7880	1.0969	3.4978
C5	1.5424	2.4526	2.1656	2.5400		2.6599	3.3633	2.7637	1.0938	2.7880	1.0952	3.4978	1.0969
H6	2.0926	1.0253	2.5056	3.3633	2.6599		1.6679	3.5895	2.9418	4.2281	3.6825	3.6710	2.4965
H7	2.0926	1.0253	2.5056	2.6599	3.3633	1.6679		2.9418	3.5895	3.6825	4.2281	2.4965	3.6710
H8	2.1550	2.6388	3.0612	1.0938	2.7637	3.5895	2.9418		2.5360	1.7906	3.1256	1.7804	3.7661
H9	2.1550	2.6388	3.0612	2.7637	1.0938	2.9418	3.5895	2.5360		3.1256	1.7906	3.7661	1.7804
H10	2.1839	3.4170	2.5043	1.0952	2.7880	4.2281	3.6825	1.7906	3.1256		2.5879	1.7793	3.7954
H11	2.1839	3.4170	2.5043	2.7880	1.0952	3.6825	4.2281	3.1256	1.7906	2.5879		3.7954	1.7793
H12	2.1859	2.7237	2.5120	1.0969	3.4978	3.6710	2.4965	1.7804	3.7661	1.7793	3.7954		4.3430
H13	2.1859	2.7237	2.5120	3.4978	1.0969	2.4965	3.6710	3.7661	1.7804	3.7954	1.7793	4.3430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.743	C1	N2	H7	110.743
C1	C4	H8	108.457	C1	C4	H10	110.643
C1	C4	H12	110.698	C1	C5	H9	108.457
C1	C5	H11	110.643	C1	C5	H13	110.698
N2	C1	H3	113.484	N2	C1	C4	107.595
N2	C1	C5	107.595	H3	C1	C4	108.665
H3	C1	C5	108.665	C4	C1	C5	110.851
H6	N2	H7	108.854	H8	C4	H10	109.769
H8	C4	H12	108.723	H9	C5	H11	109.769
H9	C5	H13	108.723	H10	C4	H12	108.525
H11	C5	H13	108.525

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.091	0.543
2	N	-0.654	-1.012
3	H	0.157	-0.049
4	C	-0.505	-0.482
5	C	-0.505	-0.482
6	H	0.259	0.371
7	H	0.259	0.371
8	H	0.197	0.143
9	H	0.197	0.143
10	H	0.174	0.111
11	H	0.174	0.111
12	H	0.170	0.117
13	H	0.170	0.117

	x	y	z	Total
	-0.271	1.362	0.000	1.389
CHELPG
AIM
ESP	-0.270	1.365	0.000	1.391

	x	y	z
x	5.776	0.044	0.000
y	0.044	4.702	0.000
z	0.000	0.000	5.822

<r²>	94.349
(<r²>)^1/2	9.713

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

using model chemistry: MP2/3-21G

States and conformations

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