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	hartrees
Energy at 0K	-174.066092
Energy at 298.15K	-174.076516
HF Energy	-173.346239
Nuclear repulsion energy	130.973294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3484	3355
2	A'	3128	3012
3	A'	3049	2936
4	A'	3043	2930
5	A'	3032	2920
6	A'	1656	1595
7	A'	1521	1465
8	A'	1505	1449
9	A'	1497	1442
10	A'	1432	1379
11	A'	1425	1372
12	A'	1343	1293
13	A'	1158	1115
14	A'	1102	1061
15	A'	1045	1006
16	A'	941	906
17	A'	862	830
18	A'	447	430
19	A'	264	255
20	A"	3575	3442
21	A"	3121	3005
22	A"	3099	2984
23	A"	3069	2955
24	A"	1514	1458
25	A"	1400	1348
26	A"	1331	1282
27	A"	1258	1211
28	A"	1043	1005
29	A"	872	840
30	A"	756	728
31	A"	287	276
32	A"	229	220
33	A"	124	119

Atom	x (Å)	y (Å)	z (Å)
C1	1.434	1.286	0.000
C2	0.000	0.752	0.000
C3	-0.053	-0.779	0.000
N4	-1.394	-1.378	0.000
H5	1.454	2.379	0.000
H6	1.977	0.939	0.885
H7	1.977	0.939	-0.885
H8	-0.537	1.124	0.881
H9	-0.537	1.124	-0.881
H10	0.481	-1.158	-0.879
H11	0.481	-1.158	0.879
H12	-1.910	-1.048	-0.812
H13	-1.910	-1.048	0.812

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5301	2.5445	3.8852	1.0931	1.0946	1.0946	2.1650	2.1650	2.7662	2.7662	4.1575	4.1575
C2	1.5301		1.5317	2.5453	2.1821	2.1737	2.1737	1.0971	1.0971	2.1563	2.1563	2.7468	2.7468
C3	2.5445	1.5317		1.4692	3.4990	2.8022	2.8022	2.1523	2.1523	1.0957	1.0957	2.0446	2.0446
N4	3.8852	2.5453	1.4692		4.7144	4.1849	4.1849	2.7873	2.7873	2.0829	2.0829	1.0171	1.0171
H5	1.0931	2.1821	3.4990	4.7144		1.7694	1.7694	2.5131	2.5131	3.7719	3.7719	4.8698	4.8698
H6	1.0946	2.1737	2.8022	4.1849	1.7694		1.7691	2.5207	3.0777	3.1211	2.5753	4.6829	4.3652
H7	1.0946	2.1737	2.8022	4.1849	1.7694	1.7691		3.0777	2.5207	2.5753	3.1211	4.3652	4.6829
H8	2.1650	1.0971	2.1523	2.7873	2.5131	2.5207	3.0777		1.7626	3.0562	2.4984	3.0771	2.5698
H9	2.1650	1.0971	2.1523	2.7873	2.5131	3.0777	2.5207	1.7626		2.4984	3.0562	2.5698	3.0771
H10	2.7662	2.1563	1.0957	2.0829	3.7719	3.1211	2.5753	3.0562	2.4984		1.7576	2.3942	2.9305
H11	2.7662	2.1563	1.0957	2.0829	3.7719	2.5753	3.1211	2.4984	3.0562	1.7576		2.9305	2.3942
H12	4.1575	2.7468	2.0446	1.0171	4.8698	4.6829	4.3652	3.0771	2.5698	2.3942	2.9305		1.6250
H13	4.1575	2.7468	2.0446	1.0171	4.8698	4.3652	4.6829	2.5698	3.0771	2.9305	2.3942	1.6250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.417	C1	C2	H8	109.893
C1	C2	H9	109.893	C2	C1	H5	111.490
C2	C1	H6	110.733	C2	C1	H7	110.733
C2	C3	N4	116.018	C2	C3	H10	109.181
C2	C3	H11	109.181	C3	C2	H8	108.791
C3	C2	H9	108.791	C3	N4	H12	109.293
C3	N4	H13	109.293	N4	C3	H10	107.706
N4	C3	H11	107.706	H5	C1	H6	107.957
H5	C1	H7	107.957	H6	C1	H7	107.831
H8	C2	H9	106.891	H10	C3	H11	106.647
H12	N4	H13	106.040

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)

using model chemistry: MP4/TZVP

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 NH2CH2CH2CH3 (1-Propanamine)

using model chemistry: MP4/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)