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	hartrees
Energy at 0K	-213.575390
Energy at 298.15K	-213.588054
HF Energy	-213.575390
Nuclear repulsion energy	193.871364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3485	2.86
2	A	3558	3397	0.16
3	A	3137	2995	42.31
4	A	3135	2994	22.58
5	A	3126	2984	62.35
6	A	3121	2980	12.94
7	A	3087	2948	34.10
8	A	3058	2920	21.12
9	A	3048	2910	23.90
10	A	3042	2904	32.74
11	A	2954	2821	78.21
12	A	1670	1594	45.75
13	A	1518	1449	19.99
14	A	1507	1439	5.15
15	A	1503	1435	3.54
16	A	1494	1426	2.33
17	A	1487	1420	1.68
18	A	1432	1368	14.17
19	A	1415	1351	2.29
20	A	1404	1341	12.34
21	A	1372	1310	0.73
22	A	1344	1284	0.63
23	A	1310	1250	7.20
24	A	1230	1175	0.12
25	A	1200	1146	0.99
26	A	1173	1120	4.52
27	A	1108	1058	22.54
28	A	1094	1045	1.59
29	A	972	928	0.55
30	A	950	907	0.30
31	A	930	888	4.59
32	A	919	877	24.36
33	A	829	791	94.82
34	A	805	769	33.65
35	A	488	466	7.13
36	A	416	397	0.48
37	A	364	347	0.42
38	A	276	263	20.17
39	A	266	254	0.58
40	A	235	224	14.19
41	A	216	206	21.72
42	A	120	115	3.77

Atom	x (Å)	y (Å)	z (Å)
N1	-2.040	-0.017	-0.196
H2	-2.839	-0.511	0.193
H3	-2.086	0.925	0.179
C4	-0.788	-0.663	0.237
H5	-0.679	-0.694	1.332
H6	-0.825	-1.697	-0.121
C7	1.705	-0.826	0.024
H8	1.834	-0.847	1.111
H9	1.610	-1.858	-0.330
H10	2.607	-0.397	-0.420
C11	0.647	1.450	0.117
H12	1.554	1.881	-0.315
H13	-0.188	2.087	-0.184
H14	0.741	1.484	1.208
C15	0.467	-0.001	-0.351
H16	0.363	-0.007	-1.442

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0167	1.0149	1.4733	2.1553	2.0742	3.8372	4.1714	4.0893	4.6673	3.0774	4.0663	2.8026	3.4585	2.5111	2.7064
H2	1.0167		1.6211	2.0574	2.4495	2.3586	4.5582	4.7745	4.6776	5.4816	4.0007	5.0280	3.7303	4.2229	3.3887	3.6302
H3	1.0149	1.6211		2.0518	2.4356	2.9247	4.1786	4.4017	4.6539	4.9120	2.7838	3.7961	2.2545	3.0606	2.7666	3.0809
C4	1.4733	2.0574	2.0518		1.1015	1.0946	2.5072	2.7700	2.7380	3.4680	2.5576	3.5019	2.8458	2.8100	1.5353	2.1381
H5	2.1553	2.4495	2.4356	1.1015		1.7719	2.7222	2.5272	3.0584	3.7356	2.7990	3.7858	3.2051	2.6037	2.1505	3.0417
H6	2.0742	2.3586	2.9247	1.0946	1.7719		2.6795	3.0513	2.4488	3.6820	3.4829	4.3013	3.8375	3.7873	2.1439	2.4516
C7	3.8372	4.5582	4.1786	2.5072	2.7222	2.6795		1.0943	1.0949	1.0934	2.5123	2.7325	3.4804	2.7695	1.5344	2.1495
H8	4.1714	4.7745	4.4017	2.7700	2.5272	3.0513	1.0943		1.7741	1.7730	2.7705	3.0909	3.7912	2.5769	2.1728	3.0633
H9	4.0893	4.6776	4.6539	2.7380	3.0584	2.4488	1.0949	1.7741		1.7713	3.4744	3.7393	4.3375	3.7805	2.1802	2.4929
H10	4.6673	5.4816	4.9120	3.4680	3.7356	3.6820	1.0934	1.7730	1.7713		2.7462	2.5113	3.7465	3.1098	2.1775	2.4960
C11	3.0774	4.0007	2.7838	2.5576	2.7990	3.4829	2.5123	2.7705	3.4744	2.7462		1.0933	1.0923	1.0959	1.5359	2.1529
H12	4.0663	5.0280	3.7961	3.5019	3.7858	4.3013	2.7325	3.0909	3.7393	2.5113	1.0933		1.7597	1.7716	2.1742	2.5008
H13	2.8026	3.7303	2.2545	2.8458	3.2051	3.8375	3.4804	3.7912	4.3375	3.7465	1.0923	1.7597		1.7790	2.1948	2.5042
H14	3.4585	4.2229	3.0606	2.8100	2.6037	3.7873	2.7695	2.5769	3.7805	3.1098	1.0959	1.7716	1.7790		2.1711	3.0645
C15	2.5111	3.3887	2.7666	1.5353	2.1505	2.1439	1.5344	2.1728	2.1802	2.1775	1.5359	2.1742	2.1948	2.1711		1.0959
H16	2.7064	3.6302	3.0809	2.1381	3.0417	2.4516	2.1495	3.0633	2.4929	2.4960	2.1529	2.5008	2.5042	3.0645	1.0959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	112.863	N1	C4	H6	106.818
N1	C4	C15	113.139	H2	N1	H3	105.864
H2	N1	C4	110.077	H3	N1	C4	109.718
C4	C15	C7	109.525	C4	C15	C11	112.767
C4	C15	H16	107.529	H5	C4	H6	107.571
H5	C4	C15	108.158	H6	C4	C15	108.044
C7	C15	C11	109.818	C7	C15	H16	108.461
H8	C7	H9	108.271	H8	C7	H10	108.277
H8	C7	C15	110.373	H9	C7	H10	108.087
H9	C7	C15	110.932	H10	C7	C15	110.805
C11	C15	H16	108.624	H12	C11	H13	107.253
H12	C11	H14	108.048	H12	C11	C15	110.443
H13	C11	H14	108.780	H13	C11	C15	112.146
H14	C11	C15	110.042

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.613
2	H	0.293
3	H	0.288
4	C	-0.400
5	H	0.138
6	H	0.150
7	C	-0.632
8	H	0.162
9	H	0.159
10	H	0.163
11	C	-0.642
12	H	0.164
13	H	0.161
14	H	0.161
15	C	0.276
16	H	0.171

	x	y	z	Total
	-0.159	-0.177	1.173	1.197
CHELPG
AIM
ESP

	x	y	z
x	9.239	-0.061	0.077
y	-0.061	8.577	-0.104
z	0.077	-0.104	7.829

<r²>	150.101
(<r²>)^1/2	12.252

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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