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	hartrees
Energy at 0K	-174.494272
Energy at 298.15K	-174.504745
Nuclear repulsion energy	135.039529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3444	3341	3.45
2	A'	3112	3019	56.02
3	A'	3093	3000	49.12
4	A'	3026	2935	5.08
5	A'	2907	2819	89.76
6	A'	1643	1594	23.09
7	A'	1481	1437	3.58
8	A'	1465	1421	4.80
9	A'	1399	1357	12.30
10	A'	1363	1322	20.11
11	A'	1195	1159	5.64
12	A'	1153	1118	19.48
13	A'	998	968	4.68
14	A'	877	850	107.27
15	A'	823	799	3.58
16	A'	474	460	9.23
17	A'	362	351	0.10
18	A'	266	258	0.18
19	A"	3518	3412	1.20
20	A"	3107	3013	0.00
21	A"	3091	2998	21.15
22	A"	3021	2931	43.95
23	A"	1463	1419	0.12
24	A"	1456	1412	0.07
25	A"	1406	1363	15.25
26	A"	1369	1328	0.02
27	A"	1267	1229	0.12
28	A"	1040	1009	1.59
29	A"	957	929	0.28
30	A"	924	897	0.16
31	A"	403	391	6.59
32	A"	295	286	32.20
33	A"	216	210	4.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.218	0.000
N2	-0.918	1.055	0.000
H3	1.229	0.820	0.000
C4	0.292	-0.642	1.265
C5	0.292	-0.642	-1.265
H6	-0.901	1.677	-0.813
H7	-0.901	1.677	0.813
H8	-0.616	-1.267	1.301
H9	-0.616	-1.267	-1.301
H10	1.176	-1.300	1.299
H11	1.176	-1.300	-1.299
H12	0.308	-0.015	2.173
H13	0.308	-0.015	-2.173

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4711	1.1138	1.5300	1.5300	2.0521	2.0521	2.1729	2.1729	2.1844	2.1844	2.1853	2.1853
N2	1.4711		2.1596	2.4384	2.4384	1.0231	1.0231	2.6785	2.6785	3.4082	3.4082	2.7144	2.7144
H3	1.1138	2.1596		2.1489	2.1489	2.4355	2.4355	3.0744	3.0744	2.4867	2.4867	2.5036	2.5036
C4	1.5300	2.4384	2.1489		2.5299	3.3344	2.6470	1.1024	2.7925	1.1020	2.7903	1.1035	3.4945
C5	1.5300	2.4384	2.1489	2.5299		2.6470	3.3344	2.7925	1.1024	2.7903	1.1020	3.4945	1.1035
H6	2.0521	1.0231	2.4355	3.3344	2.6470		1.6251	3.6347	2.9972	4.1988	3.6619	3.6380	2.4847
H7	2.0521	1.0231	2.4355	2.6470	3.3344	1.6251		2.9972	3.6347	3.6619	4.1988	2.4847	3.6380
H8	2.1729	2.6785	3.0744	1.1024	2.7925	3.6347	2.9972		2.6020	1.7922	3.1575	1.7829	3.8060
H9	2.1729	2.6785	3.0744	2.7925	1.1024	2.9972	3.6347	2.6020		3.1575	1.7922	3.8060	1.7829
H10	2.1844	3.4082	2.4867	1.1020	2.7903	4.1988	3.6619	1.7922	3.1575		2.5973	1.7799	3.8020
H11	2.1844	3.4082	2.4867	2.7903	1.1020	3.6619	4.1988	3.1575	1.7922	2.5973		3.8020	1.7799
H12	2.1853	2.7144	2.5036	1.1035	3.4945	3.6380	2.4847	1.7829	3.8060	1.7799	3.8020		4.3455
H13	2.1853	2.7144	2.5036	3.4945	1.1035	2.4847	3.6380	3.8060	1.7829	3.8020	1.7799	4.3455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.409	C1	N2	H7	109.409
C1	C4	H8	110.212	C1	C4	H10	111.148
C1	C4	H12	111.125	C1	C5	H9	110.212
C1	C5	H11	111.148	C1	C5	H13	111.125
N2	C1	H3	112.598	N2	C1	C4	108.667
N2	C1	C5	108.667	H3	C1	C4	107.702
H3	C1	C5	107.702	C4	C1	C5	111.541
H6	N2	H7	105.158	H8	C4	H10	108.779
H8	C4	H12	107.850	H9	C5	H11	108.779
H9	C5	H13	107.850	H10	C4	H12	107.614
H11	C5	H13	107.614

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

using model chemistry: B3LYP/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	-0.082
2	N	-0.152
3	H	-0.023
4	C	0.028
5	C	0.028
6	H	0.065
7	H	0.065
8	H	0.021
9	H	0.021
10	H	0.010
11	H	0.010
12	H	0.005
13	H	0.005

	x	y	z	Total
	0.836	0.903	0.000	1.231
CHELPG
AIM
ESP

	x	y	z
x	5.974	-0.465	0.000
y	-0.465	6.470	0.000
z	0.000	0.000	6.896

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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