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	hartrees
Energy at 0K	-174.449613
Energy at 298.15K	-174.459996
HF Energy	-174.449613
Nuclear repulsion energy	135.254788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3409	3361	4.22
2	A'	3056	3013	67.03
3	A'	3039	2996	58.17
4	A'	2975	2934	6.64
5	A'	2857	2817	85.48
6	A'	1630	1607	26.14
7	A'	1481	1461	6.20
8	A'	1467	1446	4.38
9	A'	1387	1367	10.40
10	A'	1341	1322	18.91
11	A'	1176	1160	5.29
12	A'	1129	1114	14.96
13	A'	975	961	6.75
14	A'	839	827	108.04
15	A'	796	785	10.65
16	A'	468	461	10.43
17	A'	360	355	0.14
18	A'	256	252	0.22
19	A"	3492	3443	1.01
20	A"	3050	3007	0.06
21	A"	3036	2994	23.34
22	A"	2971	2929	52.50
23	A"	1461	1440	0.03
24	A"	1458	1437	0.44
25	A"	1380	1360	15.20
26	A"	1362	1343	0.05
27	A"	1248	1231	0.08
28	A"	1016	1001	1.57
29	A"	944	931	0.04
30	A"	914	902	0.16
31	A"	400	394	5.80
32	A"	279	275	29.56
33	A"	207	204	4.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.293	0.217	0.000
N2	-0.917	1.060	0.000
H3	1.222	0.818	0.000
C4	0.293	-0.644	1.263
C5	0.293	-0.644	-1.263
H6	-0.908	1.673	-0.813
H7	-0.908	1.673	0.813
H8	-0.606	-1.269	1.292
H9	-0.606	-1.269	-1.292
H10	1.175	-1.291	1.293
H11	1.175	-1.291	-1.293
H12	0.302	-0.021	2.166
H13	0.302	-0.021	-2.166

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4749	1.1065	1.5288	1.5288	2.0545	2.0545	2.1647	2.1647	2.1741	2.1741	2.1787	2.1787
N2	1.4749		2.1531	2.4422	2.4422	1.0176	1.0176	2.6821	2.6821	3.4032	3.4032	2.7104	2.7104
H3	1.1065	2.1531		2.1438	2.1438	2.4350	2.4350	3.0604	3.0604	2.4746	2.4746	2.4979	2.4979
C4	1.5288	2.4422	2.1438		2.5268	3.3343	2.6476	1.0953	2.7799	1.0950	2.7812	1.0965	3.4852
C5	1.5288	2.4422	2.1438	2.5268		2.6476	3.3343	2.7799	1.0953	2.7812	1.0950	3.4852	1.0965
H6	2.0545	1.0176	2.4350	3.3343	2.6476		1.6257	3.6299	2.9960	4.1905	3.6545	3.6337	2.4824
H7	2.0545	1.0176	2.4350	2.6476	3.3343	1.6257		2.9960	3.6299	3.6545	4.1905	2.4824	3.6337
H8	2.1647	2.6821	3.0604	1.0953	2.7799	3.6299	2.9960		2.5836	1.7810	3.1392	1.7741	3.7865
H9	2.1647	2.6821	3.0604	2.7799	1.0953	2.9960	3.6299	2.5836		3.1392	1.7810	3.7865	1.7741
H10	2.1741	3.4032	2.4746	1.0950	2.7812	4.1905	3.6545	1.7810	3.1392		2.5866	1.7713	3.7870
H11	2.1741	3.4032	2.4746	2.7812	1.0950	3.6545	4.1905	3.1392	1.7810	2.5866		3.7870	1.7713
H12	2.1787	2.7104	2.4979	1.0965	3.4852	3.6337	2.4824	1.7741	3.7865	1.7713	3.7870		4.3314
H13	2.1787	2.7104	2.4979	3.4852	1.0965	2.4824	3.6337	3.7865	1.7741	3.7870	1.7713	4.3314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.487	C1	N2	H7	110.487
C1	C4	H8	110.051	C1	C4	H10	110.881
C1	C4	H12	111.071	C1	C5	H9	110.051
C1	C5	H11	110.881	C1	C5	H13	111.071
N2	C1	H3	112.411	N2	C1	C4	108.908
N2	C1	C5	108.908	H3	C1	C4	107.654
H3	C1	C5	107.654	C4	C1	C5	111.328
H6	N2	H7	106.861	H8	C4	H10	108.822
H8	C4	H12	108.093	H9	C5	H11	108.822
H9	C5	H13	108.093	H10	C4	H12	107.833
H11	C5	H13	107.833

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

using model chemistry: B97D3/cc-pVTZ

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	0.066
2	N	-0.298
3	H	0.048
4	C	-0.243
5	C	-0.243
6	H	0.112
7	H	0.112
8	H	0.081
9	H	0.081
10	H	0.072
11	H	0.072
12	H	0.070
13	H	0.070

	x	y	z	Total
	0.898	0.832	0.000	1.225
CHELPG
AIM
ESP

	x	y	z
x	6.776	-0.481	0.000
y	-0.481	7.246	0.000
z	0.000	0.000	7.674

<r²>	93.796
(<r²>)^1/2	9.685

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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