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	hartrees
Energy at 0K	-209.774498
Energy at 298.15K	-209.787249
Nuclear repulsion energy	192.092776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4087	3337	5.16
2	A	3904	3188	5.18
3	A	3756	3067	2.20
4	A	3752	3064	1.81
5	A	3750	3062	4.59
6	A	3749	3061	0.36
7	A	3694	3016	6.39
8	A	3654	2983	1.67
9	A	3569	2914	2.07
10	A	3567	2912	2.56
11	A	3564	2910	11.19
12	A	2026	1654	4.89
13	A	1848	1509	3.40
14	A	1844	1506	1.03
15	A	1840	1502	0.43
16	A	1836	1499	0.37
17	A	1831	1495	1.16
18	A	1747	1427	0.20
19	A	1743	1423	2.75
20	A	1735	1417	4.25
21	A	1647	1345	7.33
22	A	1607	1312	6.36
23	A	1549	1265	19.53
24	A	1458	1191	1.25
25	A	1414	1154	4.73
26	A	1392	1137	6.58
27	A	1306	1066	5.17
28	A	1279	1044	0.91
29	A	1156	944	1.31
30	A	1143	933	51.17
31	A	1122	916	0.78
32	A	1112	908	0.98
33	A	1018	831	29.37
34	A	937	765	1.12
35	A	529	432	3.31
36	A	465	380	0.73
37	A	402	328	0.44
38	A	295	241	37.95
39	A	292	238	1.85
40	A	247	202	10.42
41	A	231	188	4.64
42	A	99	81	7.01

Atom	x (Å)	y (Å)	z (Å)
N1	-2.042	-0.024	-0.226
H2	-2.831	-0.571	0.157
H3	-2.125	0.896	0.236
C4	-0.791	-0.667	0.262
H5	-0.716	-0.658	1.355
H6	-0.819	-1.711	-0.052
C7	1.729	-0.826	0.015
H8	1.874	-0.859	1.091
H9	1.635	-1.846	-0.347
H10	2.615	-0.387	-0.433
C11	0.634	1.464	0.119
H12	1.540	1.893	-0.297
H13	-0.204	2.071	-0.208
H14	0.699	1.522	1.202
C15	0.473	-0.001	-0.345
H16	0.356	-0.004	-1.428

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0332	1.0325	1.4890	2.1584	2.0913	3.8634	4.2149	4.1058	4.6759	3.0815	4.0636	2.7875	3.4558	2.5180	2.6830
H2	1.0332		1.6297	2.0452	2.4327	2.3222	4.5697	4.8054	4.6720	5.4810	4.0186	5.0383	3.7438	4.2349	3.3900	3.6043
H3	1.0325	1.6297		2.0549	2.3769	2.9300	4.2273	4.4496	4.6900	4.9558	2.8193	3.8357	2.2956	3.0496	2.8089	3.1203
C4	1.4890	2.0452	2.0549		1.0953	1.0906	2.5372	2.7973	2.7652	3.4874	2.5678	3.5072	2.8398	2.8098	1.5520	2.1475
H5	2.1584	2.4327	2.3769	1.0953		1.7602	2.7931	2.6107	3.1359	3.7899	2.8018	3.7845	3.1860	2.6028	2.1751	3.0528
H6	2.0913	2.3222	2.9300	1.0906	1.7602		2.6982	3.0468	2.4755	3.7002	3.4963	4.3146	3.8354	3.7853	2.1632	2.4878
C7	3.8634	4.5697	4.2273	2.5372	2.7931	2.6982		1.0861	1.0858	1.0857	2.5414	2.7438	3.4905	2.8257	1.5457	2.1549
H8	4.2149	4.8054	4.4496	2.7973	2.6107	3.0468	1.0861		1.7602	1.7592	2.8068	3.1000	3.8196	2.6569	2.1815	3.0625
H9	4.1058	4.6720	4.6900	2.7652	3.1359	2.4755	1.0858	1.7602		1.7597	3.4897	3.7404	4.3297	3.8232	2.1806	2.4894
H10	4.6759	5.4810	4.9558	3.4874	3.7899	3.7002	1.0857	1.7592	1.7597		2.7671	2.5240	3.7469	3.1603	2.1784	2.4977
C11	3.0815	4.0186	2.8193	2.5678	2.8018	3.4963	2.5414	2.8068	3.4897	2.7671		1.0856	1.0851	1.0863	1.5454	2.1515
H12	4.0636	5.0383	3.8357	3.5072	3.7845	4.3146	2.7438	3.1000	3.7404	2.5240	1.0856		1.7554	1.7588	2.1744	2.5060
H13	2.7875	3.7438	2.2956	2.8398	3.1860	3.8354	3.4905	3.8196	4.3297	3.7469	1.0851	1.7554		1.7623	2.1843	2.4720
H14	3.4558	4.2349	3.0496	2.8098	2.6028	3.7853	2.8257	2.6569	3.8232	3.1603	1.0863	1.7588	1.7623		2.1822	3.0602
C15	2.5180	3.3900	2.8089	1.5520	2.1751	2.1632	1.5457	2.1815	2.1806	2.1784	1.5454	2.1744	2.1843	2.1822		1.0899
H16	2.6830	3.6043	3.1203	2.1475	3.0528	2.4878	2.1549	3.0625	2.4894	2.4977	2.1515	2.5060	2.4720	3.0602	1.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C4	H5	112.377	N1	C4	H6	107.321
N1	C4	C15	111.771	H2	N1	H3	104.164
H2	N1	C4	106.966	H3	N1	C4	107.788
C4	C15	C7	109.986	C4	C15	C11	111.994
C4	C15	H16	107.461	H5	C4	H6	107.274
H5	C4	C15	109.283	H6	C4	C15	108.632
C7	C15	C11	110.603	C7	C15	H16	108.458
H8	C7	H9	108.276	H8	C7	H10	108.200
H8	C7	C15	110.760	H9	C7	H10	108.263
H9	C7	C15	110.709	H10	C7	C15	110.541
C11	C15	H16	108.208	H12	C11	H13	107.936
H12	C11	H14	108.150	H12	C11	C15	110.250
H13	C11	H14	108.512	H13	C11	C15	111.063
H14	C11	C15	110.828

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

using model chemistry: HF/STO-3G

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	-0.383
2	H	0.144
3	H	0.144
4	C	-0.021
5	H	0.039
6	H	0.058
7	C	-0.181
8	H	0.054
9	H	0.057
10	H	0.058
11	C	-0.183
12	H	0.058
13	H	0.059
14	H	0.052
15	C	-0.017
16	H	0.060

	x	y	z	Total
	0.049	-0.088	1.482	1.486
CHELPG
AIM
ESP

	x	y	z
x	4.290	0.019	-0.088
y	0.019	3.956	0.054
z	-0.088	0.054	3.167

<r²>	151.564
(<r²>)^1/2	12.311

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

using model chemistry: HF/STO-3G

States and conformations

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