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	hartrees
Energy at 0K	-173.361611
Energy at 298.15K	-173.372346
HF Energy	-173.361611
Nuclear repulsion energy	136.319132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3726	3378	0.08
2	A'	3231	2929	89.45
3	A'	3212	2912	75.78
4	A'	3160	2864	5.15
5	A'	3080	2792	76.64
6	A'	1793	1625	37.98
7	A'	1624	1472	5.16
8	A'	1613	1462	4.59
9	A'	1543	1398	14.12
10	A'	1501	1360	20.08
11	A'	1300	1178	7.33
12	A'	1261	1143	21.38
13	A'	1065	965	5.88
14	A'	919	833	137.69
15	A'	866	785	1.09
16	A'	508	460	10.74
17	A'	389	352	0.14
18	A'	285	258	0.25
19	A"	3803	3447	0.70
20	A"	3222	2920	0.75
21	A"	3208	2908	27.05
22	A"	3153	2858	57.51
23	A"	1608	1457	0.11
24	A"	1602	1452	0.15
25	A"	1547	1402	15.76
26	A"	1507	1366	0.20
27	A"	1361	1233	0.66
28	A"	1107	1003	1.21
29	A"	1032	935	0.07
30	A"	1003	909	0.03
31	A"	430	390	5.82
32	A"	302	274	33.16
33	A"	230	209	7.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.213	0.000
N2	-0.896	1.065	0.000
H3	1.203	0.806	0.000
C4	0.288	-0.643	1.259
C5	0.288	-0.643	-1.259
H6	-0.914	1.658	-0.803
H7	-0.914	1.658	0.803
H8	-0.596	-1.269	1.290
H9	-0.596	-1.269	-1.290
H10	1.165	-1.279	1.295
H11	1.165	-1.279	-1.295
H12	0.292	-0.024	2.150
H13	0.292	-0.024	-2.150

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4582	1.0908	1.5225	1.5225	2.0438	2.0438	2.1540	2.1540	2.1612	2.1612	2.1630	2.1630
N2	1.4582		2.1146	2.4296	2.4296	0.9984	0.9984	2.6831	2.6831	3.3786	3.3786	2.6866	2.6866
H3	1.0908	2.1146		2.1268	2.1268	2.4194	2.4194	3.0342	3.0342	2.4546	2.4546	2.4784	2.4784
C4	1.5225	2.4296	2.1268		2.5181	3.3153	2.6355	1.0834	2.7692	1.0838	2.7740	1.0851	3.4649
C5	1.5225	2.4296	2.1268	2.5181		2.6355	3.3153	2.7692	1.0834	2.7740	1.0838	3.4649	1.0851
H6	2.0438	0.9984	2.4194	3.3153	2.6355		1.6067	3.6118	2.9835	4.1649	3.6313	3.6061	2.4688
H7	2.0438	0.9984	2.4194	2.6355	3.3153	1.6067		2.9835	3.6118	3.6313	4.1649	2.4688	3.6061
H8	2.1540	2.6831	3.0342	1.0834	2.7692	3.6118	2.9835		2.5792	1.7611	3.1273	1.7546	3.7642
H9	2.1540	2.6831	3.0342	2.7692	1.0834	2.9835	3.6118	2.5792		3.1273	1.7611	3.7642	1.7546
H10	2.1612	3.3786	2.4546	1.0838	2.7740	4.1649	3.6313	1.7611	3.1273		2.5895	1.7518	3.7688
H11	2.1612	3.3786	2.4546	2.7740	1.0838	3.6313	4.1649	3.1273	1.7611	2.5895		3.7688	1.7518
H12	2.1630	2.6866	2.4784	1.0851	3.4649	3.6061	2.4688	1.7546	3.7642	1.7518	3.7688		4.3001
H13	2.1630	2.6866	2.4784	3.4649	1.0851	2.4688	3.6061	3.7642	1.7546	3.7688	1.7518	4.3001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.222	C1	N2	H7	111.222
C1	C4	H8	110.365	C1	C4	H10	110.917
C1	C4	H12	110.989	C1	C5	H9	110.365
C1	C5	H11	110.917	C1	C5	H13	110.989
N2	C1	H3	111.295	N2	C1	C4	109.181
N2	C1	C5	109.181	H3	C1	C4	107.805
H3	C1	C5	107.805	C4	C1	C5	111.578
H6	N2	H7	107.146	H8	C4	H10	108.702
H8	C4	H12	108.023	H9	C5	H11	108.702
H9	C5	H13	108.023	H10	C4	H12	107.741
H11	C5	H13	107.741

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

using model chemistry: HF/Def2TZVPP

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	0.225
2	N	-0.431
3	H	0.011
4	C	-0.187
5	C	-0.187
6	H	0.133
7	H	0.133
8	H	0.061
9	H	0.061
10	H	0.046
11	H	0.046
12	H	0.044
13	H	0.044

	x	y	z
x	6.246	-0.391	0.000
y	-0.391	6.558	0.000
z	0.000	0.000	6.940

<r²>	92.846
(<r²>)^1/2	9.636

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

using model chemistry: HF/Def2TZVPP

States and conformations

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