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	hartrees
Energy at 0K	-174.435859
Energy at 298.15K	-174.446326
Nuclear repulsion energy	135.378121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3475	3353	2.36
2	A'	3135	3026	48.05
3	A'	3117	3008	42.37
4	A'	3038	2932	6.00
5	A'	2919	2817	87.98
6	A'	1640	1583	25.50
7	A'	1480	1428	3.80
8	A'	1463	1412	6.15
9	A'	1394	1345	19.18
10	A'	1363	1315	15.39
11	A'	1199	1157	7.10
12	A'	1156	1115	20.94
13	A'	1002	967	3.92
14	A'	877	846	107.13
15	A'	831	802	3.96
16	A'	471	454	9.89
17	A'	359	346	0.12
18	A'	264	255	0.19
19	A"	3554	3430	0.27
20	A"	3131	3021	0.01
21	A"	3115	3006	19.41
22	A"	3034	2928	42.99
23	A"	1462	1411	0.10
24	A"	1453	1402	0.06
25	A"	1407	1357	16.55
26	A"	1360	1312	0.11
27	A"	1265	1221	0.09
28	A"	1046	1009	1.36
29	A"	955	922	0.54
30	A"	919	887	0.30
31	A"	401	387	7.44
32	A"	296	285	32.84
33	A"	218	210	4.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.363	0.000
N2	-1.390	-0.100	0.000
H3	0.083	1.474	0.000
C4	0.687	-0.152	1.261
C5	0.687	-0.152	-1.261
H6	-1.876	0.288	-0.811
H7	-1.876	0.288	0.811
H8	0.640	-1.252	1.298
H9	0.640	-1.252	-1.298
H10	1.743	0.159	1.295
H11	1.743	0.159	-1.295
H12	0.196	0.238	2.168
H13	0.196	0.238	-2.168

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4652	1.1140	1.5251	1.5251	2.0450	2.0450	2.1685	2.1685	2.1808	2.1808	2.1807	2.1807
N2	1.4652		2.1558	2.4303	2.4303	1.0219	1.0219	2.6711	2.6711	3.4000	3.4000	2.7076	2.7076
H3	1.1140	2.1558		2.1437	2.1437	2.4295	2.4295	3.0699	3.0699	2.4818	2.4818	2.4983	2.4983
C4	1.5251	2.4303	2.1437		2.5216	3.3247	2.6385	1.1019	2.7861	1.1012	2.7827	1.1028	3.4859
C5	1.5251	2.4303	2.1437	2.5216		2.6385	3.3247	2.7861	1.1019	2.7827	1.1012	3.4859	1.1028
H6	2.0450	1.0219	2.4295	3.3247	2.6385		1.6226	3.6264	2.9895	4.1889	3.6530	3.6293	2.4770
H7	2.0450	1.0219	2.4295	2.6385	3.3247	1.6226		2.9895	3.6264	3.6530	4.1889	2.4770	3.6293
H8	2.1685	2.6711	3.0699	1.1019	2.7861	3.6264	2.9895		2.5968	1.7907	3.1515	1.7813	3.7993
H9	2.1685	2.6711	3.0699	2.7861	1.1019	2.9895	3.6264	2.5968		3.1515	1.7907	3.7993	1.7813
H10	2.1808	3.4000	2.4818	1.1012	2.7827	4.1889	3.6530	1.7907	3.1515		2.5899	1.7782	3.7938
H11	2.1808	3.4000	2.4818	2.7827	1.1012	3.6530	4.1889	3.1515	1.7907	2.5899		3.7938	1.7782
H12	2.1807	2.7076	2.4983	1.1028	3.4859	3.6293	2.4770	1.7813	3.7993	1.7782	3.7938		4.3366
H13	2.1807	2.7076	2.4983	3.4859	1.1028	2.4770	3.6293	3.7993	1.7813	3.7938	1.7782	4.3366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.329	C1	N2	H7	109.329
C1	C4	H8	110.235	C1	C4	H10	111.247
C1	C4	H12	111.143	C1	C5	H9	110.235
C1	C5	H11	111.247	C1	C5	H13	111.143
N2	C1	H3	112.700	N2	C1	C4	108.712
N2	C1	C5	108.712	H3	C1	C4	107.616
H3	C1	C5	107.616	C4	C1	C5	111.521
H6	N2	H7	105.103	H8	C4	H10	108.737
H8	C4	H12	107.793	H9	C5	H11	108.737
H9	C5	H13	107.793	H10	C4	H12	107.565
H11	C5	H13	107.565

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.134
2	N	-0.183
3	H	0.007
4	C	-0.036
5	C	-0.036
6	H	0.081
7	H	0.081
8	H	0.045
9	H	0.045
10	H	0.035
11	H	0.035
12	H	0.030
13	H	0.030

	x	y	z	Total
	-0.211	1.229	0.000	1.247
CHELPG
AIM
ESP

<r²>	93.210
(<r²>)^1/2	9.655

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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