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	hartrees
Energy at 0K	-213.522193
Energy at 298.15K
HF Energy	-213.287939
Nuclear repulsion energy	193.564838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3589	3405	0.17
2	A	3502	3323	1.31
3	A	3154	2992	34.39
4	A	3148	2986	39.95
5	A	3140	2979	66.43
6	A	3135	2974	9.97
7	A	3103	2944	35.20
8	A	3077	2919	22.11
9	A	3069	2911	15.68
10	A	3065	2908	26.00
11	A	2975	2823	72.57
12	A	1720	1631	30.26
13	A	1567	1487	12.20
14	A	1556	1476	2.02
15	A	1553	1473	2.43
16	A	1545	1465	2.14
17	A	1538	1460	1.01
18	A	1473	1397	11.05
19	A	1456	1381	0.56
20	A	1447	1372	6.55
21	A	1411	1339	1.79
22	A	1380	1310	0.04
23	A	1344	1275	7.80
24	A	1261	1197	0.21
25	A	1224	1161	2.57
26	A	1201	1139	5.77
27	A	1113	1056	1.67
28	A	1102	1046	11.74
29	A	991	940	0.22
30	A	963	914	23.44
31	A	955	906	31.38
32	A	949	900	11.76
33	A	881	836	81.93
34	A	814	772	2.75
35	A	490	465	7.30
36	A	423	401	0.61
37	A	367	349	1.00
38	A	292	277	23.27
39	A	271	257	6.32
40	A	241	229	20.11
41	A	226	214	11.36
42	A	124	118	4.90

Atom	x (Å)	y (Å)	z (Å)
N1	-2.003	-0.027	-0.192
H2	-2.802	-0.602	0.066
H3	-2.117	0.845	0.320
C4	-0.767	-0.691	0.234
H5	-0.652	-0.756	1.331
H6	-0.802	-1.720	-0.139
C7	1.733	-0.781	0.027
H8	1.876	-0.800	1.113
H9	1.681	-1.817	-0.322
H10	2.622	-0.322	-0.416
C11	0.572	1.455	0.110
H12	1.468	1.930	-0.300
H13	-0.290	2.039	-0.223
H14	0.632	1.519	1.203
C15	0.470	-0.002	-0.346
H16	0.356	-0.012	-1.437

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0171	1.0170	1.4666	2.1626	2.0769	3.8183	4.1652	4.0983	4.6407	2.9865	3.9868	2.6846	3.3587	2.4787	2.6682
H2	1.0171		1.6208	2.0432	2.4987	2.3001	4.5387	4.7972	4.6605	5.4526	3.9514	4.9778	3.6566	4.1931	3.3519	3.5470
H3	1.0170	1.6208		2.0463	2.3939	2.9185	4.1893	4.3903	4.6817	4.9357	2.7650	3.7966	2.2493	2.9649	2.8024	3.1519
C4	1.4666	2.0432	2.0463		1.1049	1.0952	2.5108	2.7875	2.7515	3.4711	2.5325	3.4861	2.8094	2.7895	1.5307	2.1253
H5	2.1626	2.4987	2.3939	1.1049		1.7644	2.7191	2.5379	3.0501	3.7369	2.8068	3.7911	3.2190	2.6159	2.1547	3.0388
H6	2.0769	2.3001	2.9185	1.0952	1.7644		2.7090	3.0960	2.4917	3.7093	3.4683	4.3016	3.7952	3.7881	2.1477	2.4385
C7	3.8183	4.5387	4.1893	2.5108	2.7191	2.7090		1.0957	1.0946	1.0939	2.5201	2.7428	3.4795	2.8077	1.5298	2.1518
H8	4.1652	4.7972	4.3903	2.7875	2.5379	3.0960	1.0957		1.7698	1.7673	2.7907	3.1005	3.8126	2.6328	2.1775	3.0713
H9	4.0983	4.6605	4.6817	2.7515	3.0501	2.4917	1.0946	1.7698		1.7690	3.4809	3.7525	4.3316	3.8147	2.1813	2.5012
H10	4.6407	5.4526	4.9357	3.4711	3.7369	3.7093	1.0939	1.7673	1.7690		2.7632	2.5328	3.7541	3.1574	2.1768	2.5049
C11	2.9865	3.9514	2.7650	2.5325	2.8068	3.4683	2.5201	2.7907	3.4809	2.7632		1.0941	1.0935	1.0966	1.5301	2.1420
H12	3.9868	4.9778	3.7966	3.4861	3.7911	4.3016	2.7428	3.1005	3.7525	2.5328	1.0941		1.7633	1.7680	2.1753	2.5097
H13	2.6846	3.6566	2.2493	2.8094	3.2190	3.7952	3.4795	3.8126	4.3316	3.7541	1.0935	1.7633		1.7759	2.1821	2.4692
H14	3.3587	4.1931	2.9649	2.7895	2.6159	3.7881	2.8077	2.6328	3.8147	3.1574	1.0966	1.7680	1.7759		2.1773	3.0637
C15	2.4787	3.3519	2.8024	1.5307	2.1547	2.1477	1.5298	2.1775	2.1813	2.1768	1.5301	2.1753	2.1821	2.1773		1.0965
H16	2.6682	3.5470	3.1519	2.1253	3.0388	2.4385	2.1518	3.0713	2.5012	2.5049	2.1420	2.5097	2.4692	3.0637	1.0965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.749	N1	C4	H6	107.452
N1	C4	C15	111.563	H2	N1	H3	105.652
H2	N1	C4	109.368	H3	N1	C4	109.634
C4	C15	C7	110.253	C4	C15	C11	111.666
C4	C15	H16	106.826	H5	C4	H6	106.631
H5	C4	C15	108.598	H6	C4	C15	108.618
C7	C15	C11	110.895	C7	C15	H16	108.918
H8	C7	H9	107.802	H8	C7	H10	107.624
H8	C7	C15	110.986	H9	C7	H10	107.863
H9	C7	C15	111.361	H10	C7	C15	111.041
C11	C15	H16	108.138	H12	C11	H13	107.425
H12	C11	H14	107.622	H12	C11	C15	110.890
H13	C11	H14	108.369	H13	C11	C15	111.474
H14	C11	C15	110.903

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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 C(NH2)H2C(CH3)HCH3 (1-Propanamine, 2-methyl-)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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