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	hartrees
Energy at 0K	-213.617864
Energy at 298.15K	-213.609928
HF Energy	-213.819974
Nuclear repulsion energy	193.149750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3569	3444	0.03
2	A	3496	3373	0.72
3	A	3102	2994	37.21
4	A	3099	2990	33.89
5	A	3091	2983	63.85
6	A	3085	2977	9.18
7	A	3048	2942	35.01
8	A	3027	2921	33.34
9	A	3022	2916	12.68
10	A	3019	2913	18.92
11	A	2924	2821	68.45
12	A	1660	1602	24.90
13	A	1516	1463	10.42
14	A	1505	1453	2.08
15	A	1503	1450	1.64
16	A	1493	1441	1.51
17	A	1488	1436	0.76
18	A	1434	1384	9.95
19	A	1411	1362	0.70
20	A	1398	1349	4.76
21	A	1375	1327	2.70
22	A	1347	1300	0.13
23	A	1311	1265	7.96
24	A	1231	1188	0.21
25	A	1194	1152	2.06
26	A	1172	1131	4.63
27	A	1087	1049	3.68
28	A	1080	1042	10.42
29	A	967	934	0.18
30	A	939	906	10.23
31	A	930	897	12.81
32	A	922	890	19.28
33	A	850	820	87.77
34	A	796	768	3.12
35	A	480	464	6.07
36	A	411	396	0.54
37	A	359	346	0.32
38	A	273	263	18.00
39	A	264	255	1.02
40	A	229	221	11.85
41	A	214	206	17.13
42	A	113	109	3.86

Atom	x (Å)	y (Å)	z (Å)
N1	-2.014	-0.026	-0.197
H2	-2.813	-0.597	0.063
H3	-2.135	0.854	0.296
C4	-0.777	-0.681	0.242
H5	-0.667	-0.732	1.342
H6	-0.810	-1.717	-0.114
C7	1.731	-0.797	0.022
H8	1.881	-0.822	1.108
H9	1.667	-1.833	-0.329
H10	2.624	-0.348	-0.424
C11	0.593	1.459	0.110
H12	1.492	1.925	-0.306
H13	-0.264	2.056	-0.216
H14	0.663	1.528	1.204
C15	0.471	-0.002	-0.343
H16	0.353	-0.009	-1.434

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0153	1.0154	1.4676	2.1637	2.0780	3.8300	4.1851	4.1028	4.6556	3.0162	4.0139	2.7194	3.3975	2.4898	2.6715
H2	1.0153		1.6181	2.0458	2.5017	2.3016	4.5482	4.8144	4.6633	5.4646	3.9783	5.0025	3.6887	4.2302	3.3618	3.5511
H3	1.0154	1.6181		2.0499	2.4007	2.9212	4.2124	4.4273	4.6968	4.9611	2.8002	3.8291	2.2812	3.0175	2.8161	3.1508
C4	1.4676	2.0458	2.0499		1.1061	1.0966	2.5197	2.7990	2.7611	3.4815	2.5436	3.4980	2.8211	2.8059	1.5359	2.1302
H5	2.1637	2.5017	2.4007	1.1061		1.7637	2.7379	2.5607	3.0741	3.7547	2.8110	3.7994	3.2182	2.6254	2.1599	3.0445
H6	2.0780	2.3016	2.9212	1.0966	1.7637		2.7057	3.0882	2.4887	3.7103	3.4794	4.3131	3.8134	3.7994	2.1530	2.4524
C7	3.8300	4.5482	4.2124	2.5197	2.7379	2.7057		1.0969	1.0954	1.0948	2.5282	2.7524	3.4892	2.8185	1.5336	2.1536
H8	4.1851	4.8144	4.4273	2.7990	2.5607	3.0882	1.0969		1.7696	1.7673	2.8036	3.1149	3.8263	2.6494	2.1833	3.0756
H9	4.1028	4.6633	4.6968	2.7611	3.0741	2.4887	1.0954	1.7696		1.7695	3.4902	3.7623	4.3430	3.8278	2.1867	2.5044
H10	4.6556	5.4646	4.9611	3.4815	3.7547	3.7103	1.0948	1.7673	1.7695		2.7708	2.5426	3.7638	3.1649	2.1825	2.5088
C11	3.0162	3.9783	2.8002	2.5436	2.8110	3.4794	2.5282	2.8036	3.4902	2.7708		1.0950	1.0943	1.0976	1.5345	2.1446
H12	4.0139	5.0025	3.8291	3.4980	3.7994	4.3131	2.7524	3.1149	3.7623	2.5426	1.0950		1.7633	1.7679	2.1812	2.5121
H13	2.7194	3.6887	2.2812	2.8211	3.2182	3.8134	3.4892	3.8263	4.3430	3.7638	1.0943	1.7633		1.7756	2.1888	2.4758
H14	3.3975	4.2302	3.0175	2.8059	2.6254	3.7994	2.8185	2.6494	3.8278	3.1649	1.0976	1.7679	1.7756		2.1838	3.0688
C15	2.4898	3.3618	2.8161	1.5359	2.1599	2.1530	1.5336	2.1833	2.1867	2.1825	1.5345	2.1812	2.1888	2.1838		1.0979
H16	2.6715	3.5511	3.1508	2.1302	3.0445	2.4524	2.1536	3.0756	2.5044	2.5088	2.1446	2.5121	2.4758	3.0688	1.0979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.753	N1	C4	H6	107.476
N1	C4	C15	112.035	H2	N1	H3	106.444
H2	N1	C4	110.332	H3	N1	C4	110.635
C4	C15	C7	110.409	C4	C15	C11	111.848
C4	C15	H16	106.747	H5	C4	H6	106.388
H5	C4	C15	108.467	H6	C4	C15	108.449
C7	C15	C11	110.963	C7	C15	H16	108.734
H8	C7	H9	107.682	H8	C7	H10	107.531
H8	C7	C15	111.090	H9	C7	H10	107.770
H9	C7	C15	111.458	H10	C7	C15	111.128
C11	C15	H16	107.971	H12	C11	H13	107.355
H12	C11	H14	107.520	H12	C11	C15	110.935
H13	C11	H14	108.223	H13	C11	C15	111.614
H14	C11	C15	111.015

All results from a given calculation for C(NH₂)H₂C(CH₃)HCH₃ (1-Propanamine, 2-methyl-)

using model chemistry: G4

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	N	-0.515
2	H	0.224
3	H	0.224
4	C	-0.139
5	H	0.072
6	H	0.095
7	C	-0.389
8	H	0.109
9	H	0.108
10	H	0.110
11	C	-0.390
12	H	0.111
13	H	0.115
14	H	0.106
15	C	0.076
16	H	0.081

	x	y	z	Total
	-0.222	-0.136	1.057	1.088
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	150.746
(<r²>)^1/2	12.278

All results from a given calculation for C(NH2)H2C(CH3)HCH3 (1-Propanamine, 2-methyl-)

using model chemistry: G4

States and conformations

All results from a given calculation for C(NH₂)H₂C(CH₃)HCH₃ (1-Propanamine, 2-methyl-)