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	hartrees
Energy at 0K	-38.683087
Energy at 298.15K	-38.695819
HF Energy	-38.025404
Nuclear repulsion energy	111.933682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3611	3428	0.04
2	A	3510	3332	0.39
3	A	3177	3016	37.72
4	A	3172	3012	51.97
5	A	3169	3008	71.75
6	A	3163	3002	14.43
7	A	3134	2975	38.23
8	A	3119	2961	8.73
9	A	3071	2915	26.94
10	A	3069	2914	36.40
11	A	3019	2866	73.06
12	A	1704	1617	34.62
13	A	1545	1467	19.38
14	A	1532	1455	4.05
15	A	1529	1451	1.69
16	A	1521	1444	2.33
17	A	1513	1436	1.33
18	A	1458	1384	9.66
19	A	1447	1374	4.17
20	A	1439	1367	10.41
21	A	1395	1324	0.18
22	A	1365	1296	0.09
23	A	1329	1261	6.03
24	A	1254	1191	0.69
25	A	1228	1166	3.03
26	A	1197	1136	4.00
27	A	1116	1060	3.39
28	A	1095	1039	15.03
29	A	990	940	0.67
30	A	971	922	27.58
31	A	964	915	57.38
32	A	943	896	1.83
33	A	883	838	54.22
34	A	819	778	1.67
35	A	482	458	7.72
36	A	417	396	0.55
37	A	365	347	1.38
38	A	291	276	27.39
39	A	265	252	6.42
40	A	241	229	18.25
41	A	223	212	14.69
42	A	125	118	5.14

Atom	x (Å)	y (Å)	z (Å)
N1	-2.023	-0.024	-0.196
H2	-2.819	-0.612	0.074
H3	-2.135	0.846	0.335
C4	-0.769	-0.696	0.239
H5	-0.657	-0.752	1.346
H6	-0.808	-1.734	-0.142
C7	1.746	-0.788	0.029
H8	1.888	-0.791	1.126
H9	1.686	-1.838	-0.312
H10	2.642	-0.330	-0.429
C11	0.579	1.466	0.111
H12	1.500	1.934	-0.283
H13	-0.277	2.066	-0.244
H14	0.618	1.521	1.217
C15	0.472	-0.003	-0.355
H16	0.356	-0.015	-1.455

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0261	1.0256	1.4878	2.1845	2.0986	3.8518	4.1993	4.1305	4.6805	3.0140	4.0310	2.7239	3.3698	2.5007	2.6922
H2	1.0261		1.6319	2.0587	2.5124	2.3131	4.5686	4.8272	4.6850	5.4913	3.9835	5.0261	3.7065	4.2035	3.3752	3.5749
H3	1.0256	1.6319		2.0627	2.4000	2.9407	4.2219	4.4152	4.7143	4.9786	2.7931	3.8441	2.2972	2.9682	2.8279	3.1869
C4	1.4878	2.0587	2.0627		1.1139	1.1065	2.5250	2.8032	2.7629	3.4946	2.5510	3.5122	2.8471	2.7920	1.5413	2.1448
H5	2.1845	2.5124	2.4000	1.1139		1.7891	2.7402	2.5553	3.0688	3.7696	2.8233	3.8103	3.2580	2.6094	2.1752	3.0685
H6	2.0986	2.3131	2.9407	1.1065	1.7891		2.7290	3.1257	2.5021	3.7356	3.4970	4.3359	3.8388	3.8049	2.1645	2.4569
C7	3.8518	4.5686	4.2219	2.5250	2.7402	2.7290		1.1066	1.1058	1.1052	2.5388	2.7502	3.5085	2.8310	1.5444	2.1747
H8	4.1993	4.8272	4.4152	2.8032	2.5553	3.1257	1.1066		1.7906	1.7883	2.7992	3.0918	3.8377	2.6396	2.1956	3.1003
H9	4.1305	4.6850	4.7143	2.7629	3.0688	2.5021	1.1058	1.7906		1.7887	3.5098	3.7763	4.3703	3.8422	2.2008	2.5292
H10	4.6805	5.4913	4.9786	3.4946	3.7696	3.7356	1.1052	1.7883	1.7887		2.7878	2.5400	3.7810	3.1990	2.1950	2.5248
C11	3.0140	3.9835	2.7931	2.5510	2.8233	3.4970	2.5388	2.7992	3.5098	2.7878		1.1054	1.1044	1.1077	1.5442	2.1671
H12	4.0310	5.0261	3.8441	3.5122	3.8103	4.3359	2.7502	3.0918	3.7763	2.5400	1.1054		1.7819	1.7883	2.1929	2.5453
H13	2.7239	3.7065	2.2972	2.8471	3.2580	3.8388	3.5085	3.8377	4.3703	3.7810	1.1044	1.7819		1.7977	2.2030	2.4899
H14	3.3698	4.2035	2.9682	2.7920	2.6094	3.8049	2.8310	2.6396	3.8422	3.1990	1.1077	1.7883	1.7977		2.1941	3.0933
C15	2.5007	3.3752	2.8279	1.5413	2.1752	2.1645	1.5444	2.1956	2.2008	2.1950	1.5442	2.1929	2.2030	2.1941		1.1061
H16	2.6922	3.5749	3.1869	2.1448	3.0685	2.4569	2.1747	3.1003	2.5292	2.5248	2.1671	2.5453	2.4899	3.0933	1.1061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	113.427	N1	C4	H6	107.068
N1	C4	C15	111.278	H2	N1	H3	105.390
H2	N1	C4	108.563	H3	N1	C4	108.920
C4	C15	C7	109.833	C4	C15	C11	111.537
C4	C15	H16	107.079	H5	C4	H6	107.370
H5	C4	C15	108.954	H6	C4	C15	108.552
C7	C15	C11	110.567	C7	C15	H16	109.150
H8	C7	H9	108.068	H8	C7	H10	107.903
H8	C7	C15	110.755	H9	C7	H10	107.995
H9	C7	C15	111.204	H10	C7	C15	110.788
C11	C15	H16	108.577	H12	C11	H13	107.491
H12	C11	H14	107.820	H12	C11	C15	110.621
H13	C11	H14	108.719	H13	C11	C15	111.480
H14	C11	C15	110.580

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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