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	hartrees
Energy at 0K	-174.514597
Energy at 298.15K	-174.524978
HF Energy	-174.514597
Nuclear repulsion energy	135.277188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3450	3329	3.57
2	A'	3116	3006	63.43
3	A'	3097	2989	54.23
4	A'	3029	2923	5.69
5	A'	2920	2818	81.61
6	A'	1662	1604	24.80
7	A'	1521	1468	3.38
8	A'	1506	1454	3.11
9	A'	1420	1370	7.83
10	A'	1372	1324	20.30
11	A'	1203	1161	4.71
12	A'	1156	1115	18.13
13	A'	1003	968	7.35
14	A'	871	841	106.32
15	A'	815	786	5.78
16	A'	454	438	9.42
17	A'	345	333	0.09
18	A'	255	246	0.25
19	A"	3528	3405	1.30
20	A"	3111	3002	0.20
21	A"	3094	2986	22.02
22	A"	3025	2920	48.39
23	A"	1501	1449	0.01
24	A"	1496	1444	0.26
25	A"	1414	1365	12.03
26	A"	1388	1339	0.69
27	A"	1270	1226	0.00
28	A"	1033	997	1.44
29	A"	958	924	0.29
30	A"	921	889	0.18
31	A"	388	374	6.54
32	A"	284	274	30.21
33	A"	210	203	4.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.222	0.000
N2	-0.918	1.052	0.000
H3	1.223	0.822	0.000
C4	0.294	-0.641	1.264
C5	0.294	-0.641	-1.264
H6	-0.923	1.660	-0.815
H7	-0.923	1.660	0.815
H8	-0.601	-1.271	1.291
H9	-0.601	-1.271	-1.291
H10	1.180	-1.284	1.297
H11	1.180	-1.284	-1.297
H12	0.298	-0.019	2.166
H13	0.298	-0.019	-2.166

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4691	1.1056	1.5309	1.5309	2.0529	2.0529	2.1675	2.1675	2.1763	2.1763	2.1797	2.1797
N2	1.4691		2.1532	2.4364	2.4364	1.0166	1.0166	2.6768	2.6768	3.3975	3.3975	2.7055	2.7055
H3	1.1056	2.1532		2.1452	2.1452	2.4441	2.4441	3.0618	3.0618	2.4741	2.4741	2.5010	2.5010
C4	1.5309	2.4364	2.1452		2.5280	3.3319	2.6423	1.0950	2.7793	1.0948	2.7849	1.0964	3.4864
C5	1.5309	2.4364	2.1452	2.5280		2.6423	3.3319	2.7793	1.0950	2.7849	1.0948	3.4864	1.0964
H6	2.0529	1.0166	2.4441	3.3319	2.6423		1.6297	3.6235	2.9872	4.1897	3.6506	3.6331	2.4775
H7	2.0529	1.0166	2.4441	2.6423	3.3319	1.6297		2.9872	3.6235	3.6506	4.1897	2.4775	3.6331
H8	2.1675	2.6768	3.0618	1.0950	2.7793	3.6235	2.9872		2.5813	1.7809	3.1411	1.7733	3.7853
H9	2.1675	2.6768	3.0618	2.7793	1.0950	2.9872	3.6235	2.5813		3.1411	1.7809	3.7853	1.7733
H10	2.1763	3.3975	2.4741	1.0948	2.7849	4.1897	3.6506	1.7809	3.1411		2.5937	1.7706	3.7911
H11	2.1763	3.3975	2.4741	2.7849	1.0948	3.6506	4.1897	3.1411	1.7809	2.5937		3.7911	1.7706
H12	2.1797	2.7055	2.5010	1.0964	3.4864	3.6331	2.4775	1.7733	3.7853	1.7706	3.7911		4.3327
H13	2.1797	2.7055	2.5010	3.4864	1.0964	2.4775	3.6331	3.7853	1.7733	3.7911	1.7706	4.3327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.021	C1	N2	H7	110.021
C1	C4	H8	110.157	C1	C4	H10	110.866
C1	C4	H12	111.047	C1	C5	H9	110.157
C1	C5	H11	110.866	C1	C5	H13	111.047
N2	C1	H3	112.741	N2	C1	C4	108.590
N2	C1	C5	108.590	H3	C1	C4	107.822
H3	C1	C5	107.822	C4	C1	C5	111.309
H6	N2	H7	106.560	H8	C4	H10	108.831
H8	C4	H12	108.038	H9	C5	H11	108.831
H9	C5	H13	108.038	H10	C4	H12	107.810
H11	C5	H13	107.810

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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