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	hartrees
Energy at 0K	-213.816013
Energy at 298.15K	-213.828715
HF Energy	-213.816013
Nuclear repulsion energy	194.212207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3463	0.94
2	A	3544	3388	0.13
3	A	3125	2987	47.95
4	A	3123	2986	18.35
5	A	3114	2977	67.61
6	A	3108	2971	14.22
7	A	3078	2943	34.25
8	A	3057	2922	16.45
9	A	3042	2908	24.69
10	A	3036	2903	28.32
11	A	2954	2824	69.96
12	A	1663	1590	32.73
13	A	1523	1456	16.42
14	A	1512	1445	5.90
15	A	1505	1439	0.93
16	A	1499	1433	2.61
17	A	1488	1423	0.76
18	A	1441	1378	9.24
19	A	1424	1361	1.95
20	A	1409	1347	10.27
21	A	1377	1316	0.89
22	A	1354	1294	0.01
23	A	1327	1269	4.29
24	A	1238	1184	0.19
25	A	1206	1152	1.38
26	A	1179	1127	3.84
27	A	1106	1058	18.08
28	A	1097	1048	1.85
29	A	980	937	0.35
30	A	948	906	0.76
31	A	934	893	3.84
32	A	933	892	34.47
33	A	844	807	94.97
34	A	808	772	4.51
35	A	490	469	6.23
36	A	421	403	0.57
37	A	371	355	0.29
38	A	276	263	18.69
39	A	273	261	1.26
40	A	228	218	12.93
41	A	213	203	16.47
42	A	107	102	2.93

Atom	x (Å)	y (Å)	z (Å)
N1	-2.008	-0.023	-0.189
H2	-2.805	-0.595	0.058
H3	-2.128	0.848	0.313
C4	-0.771	-0.680	0.233
H5	-0.660	-0.740	1.326
H6	-0.806	-1.708	-0.135
C7	1.723	-0.791	0.027
H8	1.864	-0.807	1.110
H9	1.658	-1.825	-0.316
H10	2.615	-0.347	-0.416
C11	0.589	1.451	0.108
H12	1.495	1.910	-0.290
H13	-0.255	2.049	-0.234
H14	0.639	1.514	1.199
C15	0.471	-0.002	-0.345
H16	0.360	-0.011	-1.432

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0114	1.0118	1.4630	2.1506	2.0705	3.8151	4.1586	4.0866	4.6394	3.0009	4.0018	2.7141	3.3604	2.4841	2.6749
H2	1.0114		1.6135	2.0432	2.4953	2.2955	4.5319	4.7905	4.6438	5.4456	3.9632	4.9880	3.6844	4.1960	3.3534	3.5466
H3	1.0118	1.6135		2.0456	2.3883	2.9121	4.1952	4.3946	4.6768	4.9450	2.7912	3.8234	2.2913	2.9809	2.8128	3.1583
C4	1.4630	2.0432	2.0456		1.1008	1.0920	2.5045	2.7800	2.7401	3.4630	2.5314	3.4806	2.8167	2.7814	1.5284	2.1211
H5	2.1506	2.4953	2.3883	1.1008		1.7582	2.7150	2.5346	3.0410	3.7306	2.8015	3.7792	3.2219	2.6052	2.1490	3.0303
H6	2.0705	2.2955	2.9121	1.0920	1.7582		2.6953	3.0812	2.4735	3.6929	3.4625	4.2907	3.7989	3.7750	2.1420	2.4344
C7	3.8151	4.5319	4.1952	2.5045	2.7150	2.6953		1.0928	1.0912	1.0905	2.5140	2.7291	3.4712	2.8043	1.5257	2.1435
H8	4.1586	4.7905	4.3946	2.7800	2.5346	3.0812	1.0928		1.7649	1.7623	2.7800	3.0786	3.8022	2.6261	2.1692	3.0594
H9	4.0866	4.6438	4.6768	2.7401	3.0410	2.4735	1.0912	1.7649		1.7639	3.4720	3.7384	4.3215	3.8058	2.1753	2.4939
H10	4.6394	5.4456	4.9450	3.4630	3.7306	3.6929	1.0905	1.7623	1.7639		2.7586	2.5222	3.7430	3.1585	2.1722	2.4955
C11	3.0009	3.9632	2.7912	2.5314	2.8015	3.4625	2.5140	2.7800	3.4720	2.7586		1.0905	1.0900	1.0938	1.5266	2.1361
H12	4.0018	4.9880	3.8234	3.4806	3.7792	4.2907	2.7291	3.0786	3.7384	2.5222	1.0905		1.7567	1.7628	2.1691	2.5060
H13	2.7141	3.6844	2.2913	2.8167	3.2219	3.7989	3.4712	3.8022	4.3215	3.7430	1.0900	1.7567		1.7719	2.1787	2.4614
H14	3.3604	4.1960	2.9809	2.7814	2.6052	3.7750	2.8043	2.6261	3.8058	3.1585	1.0938	1.7628	1.7719		2.1702	3.0540
C15	2.4841	3.3534	2.8128	1.5284	2.1490	2.1420	1.5257	2.1692	2.1753	2.1722	1.5266	2.1691	2.1787	2.1702		1.0931
H16	2.6749	3.5466	3.1583	2.1211	3.0303	2.4344	2.1435	3.0594	2.4939	2.4955	2.1361	2.5060	2.4614	3.0540	1.0931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.278	N1	C4	H6	107.370
N1	C4	C15	112.263	H2	N1	H3	105.787
H2	N1	C4	109.983	H3	N1	C4	110.164
C4	C15	C7	110.176	C4	C15	C11	111.915
C4	C15	H16	106.838	H5	C4	H6	106.610
H5	C4	C15	108.555	H6	C4	C15	108.510
C7	C15	C11	110.899	C7	C15	H16	108.744
H8	C7	H9	107.820	H8	C7	H10	107.640
H8	C7	C15	110.789	H9	C7	H10	107.897
H9	C7	C15	111.372	H10	C7	C15	111.163
C11	C15	H16	108.113	H12	C11	H13	107.339
H12	C11	H14	107.615	H12	C11	C15	110.856
H13	C11	H14	108.463	H13	C11	C15	111.660
H14	C11	C15	110.746

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

using model chemistry: wB97X-D/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	N	-0.315
2	H	0.124
3	H	0.126
4	C	-0.099
5	H	0.072
6	H	0.089
7	C	-0.299
8	H	0.084
9	H	0.093
10	H	0.095
11	C	-0.314
12	H	0.096
13	H	0.098
14	H	0.088
15	C	-0.033
16	H	0.096

	x	y	z	Total
	-0.204	-0.180	1.051	1.086
CHELPG
AIM
ESP

	x	y	z
x	9.400	-0.054	-0.010
y	-0.054	8.713	-0.026
z	-0.010	-0.026	7.655

<r²>	149.373
(<r²>)^1/2	12.222

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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