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	hartrees
Energy at 0K	-173.314874
Energy at 298.15K	-173.325628
Nuclear repulsion energy	135.844072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3388	0.29
2	A'	3244	2954	90.14
3	A'	3225	2937	76.33
4	A'	3165	2882	6.72
5	A'	3095	2818	75.88
6	A'	1780	1621	39.63
7	A'	1605	1462	4.59
8	A'	1593	1451	4.89
9	A'	1527	1391	17.41
10	A'	1486	1353	18.77
11	A'	1294	1178	8.76
12	A'	1253	1141	19.00
13	A'	1063	968	5.51
14	A'	920	838	125.43
15	A'	870	792	1.15
16	A'	506	461	10.48
17	A'	392	357	0.16
18	A'	286	260	0.27
19	A"	3801	3461	0.84
20	A"	3235	2946	0.87
21	A"	3221	2933	29.36
22	A"	3158	2876	55.78
23	A"	1589	1447	0.00
24	A"	1582	1440	0.11
25	A"	1539	1401	16.14
26	A"	1487	1354	0.06
27	A"	1354	1233	0.46
28	A"	1107	1008	1.13
29	A"	1029	937	0.23
30	A"	994	905	0.05
31	A"	430	392	5.29
32	A"	306	279	34.03
33	A"	229	209	7.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.358	0.000
N2	-1.391	-0.090	0.000
H3	0.068	1.454	0.000
C4	0.689	-0.151	1.262
C5	0.689	-0.151	-1.262
H6	-1.881	0.251	-0.806
H7	-1.881	0.251	0.806
H8	0.668	-1.241	1.294
H9	0.668	-1.241	-1.294
H10	1.727	0.182	1.298
H11	1.727	0.182	-1.298
H12	0.189	0.223	2.158
H13	0.189	0.223	-2.158

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4614	1.0978	1.5255	1.5255	2.0489	2.0489	2.1630	2.1630	2.1675	2.1675	2.1708	2.1708
N2	1.4614		2.1240	2.4335	2.4335	1.0029	1.0029	2.6908	2.6908	3.3882	3.3882	2.6930	2.6930
H3	1.0978	2.1240		2.1343	2.1343	2.4277	2.4277	3.0492	3.0492	2.4610	2.4610	2.4875	2.4875
C4	1.5255	2.4335	2.1343		2.5248	3.3229	2.6401	1.0905	2.7792	1.0909	2.7827	1.0920	3.4772
C5	1.5255	2.4335	2.1343	2.5248		2.6401	3.3229	2.7792	1.0905	2.7827	1.0909	3.4772	1.0920
H6	2.0489	1.0029	2.4277	3.3229	2.6401		1.6127	3.6240	2.9932	4.1769	3.6415	3.6156	2.4720
H7	2.0489	1.0029	2.4277	2.6401	3.3229	1.6127		2.9932	3.6240	3.6415	4.1769	2.4720	3.6156
H8	2.1630	2.6908	3.0492	1.0905	2.7792	3.6240	2.9932		2.5883	1.7732	3.1404	1.7664	3.7806
H9	2.1630	2.6908	3.0492	2.7792	1.0905	2.9932	3.6240	2.5883		3.1404	1.7732	3.7806	1.7664
H10	2.1675	3.3882	2.4610	1.0909	2.7827	4.1769	3.6415	1.7732	3.1404		2.5955	1.7630	3.7831
H11	2.1675	3.3882	2.4610	2.7827	1.0909	3.6415	4.1769	3.1404	1.7732	2.5955		3.7831	1.7630
H12	2.1708	2.6930	2.4875	1.0920	3.4772	3.6156	2.4720	1.7664	3.7806	1.7630	3.7831		4.3166
H13	2.1708	2.6930	2.4875	3.4772	1.0920	2.4720	3.6156	3.7806	1.7664	3.7831	1.7630	4.3166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.127	C1	N2	H7	111.127
C1	C4	H8	110.444	C1	C4	H10	110.776
C1	C4	H12	110.976	C1	C5	H9	110.444
C1	C5	H11	110.776	C1	C5	H13	110.976
N2	C1	H3	111.393	N2	C1	C4	109.104
N2	C1	C5	109.104	H3	C1	C4	107.779
H3	C1	C5	107.779	C4	C1	C5	111.692
H6	N2	H7	107.026	H8	C4	H10	108.753
H8	C4	H12	108.061	H9	C5	H11	108.753
H9	C5	H13	108.061	H10	C4	H12	107.732
H11	C5	H13	107.732

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)

using model chemistry: HF/aug-cc-pVDZ

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	C	-0.534
2	N	-0.260
3	H	-0.144
4	C	0.665
5	C	0.665
6	H	-0.053
7	H	-0.053
8	H	0.006
9	H	0.006
10	H	-0.048
11	H	-0.048
12	H	-0.101
13	H	-0.101

	x	y	z	Total
	-0.012	1.322	0.000	1.322
CHELPG
AIM
ESP

	x	y	z
x	7.150	-0.017	0.000
y	-0.017	6.387	0.000
z	0.000	0.000	7.231

<r²>	93.446
(<r²>)^1/2	9.667

All results from a given calculation for CH3CH(NH2)CH3 (2-Propanamine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)