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	hartrees
Energy at 0K	-173.220801
Energy at 298.15K	-173.229245
Nuclear repulsion energy	125.554297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3539	3379	0.56
2	A	3270	3122	13.79
3	A	3172	3029	5.63
4	A	3095	2955	50.30
5	A	1667	1591	13.15
6	A	1513	1444	18.96
7	A	1420	1356	18.19
8	A	1258	1201	0.26
9	A	1190	1136	7.33
10	A	1069	1021	11.13
11	A	1030	984	7.26
12	A	857	818	78.35
13	A	830	793	65.63
14	A	776	741	3.08
15	A	408	389	5.66
16	A	3622	3458	1.32
17	A	3257	3109	0.22
18	A	3166	3023	18.53
19	A	1455	1389	1.91
20	A	1281	1223	1.36
21	A	1201	1147	0.09
22	A	1137	1086	0.47
23	A	1077	1028	1.11
24	A	922	881	9.04
25	A	844	806	1.65
26	A	399	381	6.54
27	A	275	262	31.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.319	0.419	0.000
H2	-1.264	0.966	0.000
N3	0.905	1.167	0.000
C4	-0.319	-0.879	0.751
C5	-0.319	-0.879	-0.751
H6	0.951	1.768	0.814
H7	0.951	1.768	-0.814
H8	-1.223	-1.175	1.270
H9	-1.223	-1.175	-1.270
H10	0.606	-1.148	1.245
H11	0.606	-1.148	-1.245

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0913	1.4347	1.4997	1.4997	2.0237	2.0237	2.2293	2.2293	2.2054	2.2054
H2	1.0913		2.1783	2.2042	2.2042	2.4923	2.4923	2.4891	2.4891	3.0847	3.0847
N3	1.4347	2.1783		2.4997	2.4997	1.0128	1.0128	3.4095	3.4095	2.6460	2.6460
C4	1.4997	2.2042	2.4997		1.5027	2.9367	3.3271	1.0831	2.2338	1.0827	2.2170
C5	1.4997	2.2042	2.4997	1.5027		3.3271	2.9367	2.2338	1.0831	2.2170	1.0827
H6	2.0237	2.4923	1.0128	2.9367	3.3271		1.6273	3.6872	4.2105	2.9686	3.5868
H7	2.0237	2.4923	1.0128	3.3271	2.9367	1.6273		4.2105	3.6872	3.5868	2.9686
H8	2.2293	2.4891	3.4095	1.0831	2.2338	3.6872	4.2105		2.5400	1.8290	3.1099
H9	2.2293	2.4891	3.4095	2.2338	1.0831	4.2105	3.6872	2.5400		3.1099	1.8290
H10	2.2054	3.0847	2.6460	1.0827	2.2170	2.9686	3.5868	1.8290	3.1099		2.4906
H11	2.2054	3.0847	2.6460	2.2170	1.0827	3.5868	2.9686	3.1099	1.8290	2.4906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.370	C1	N3	H7	110.370
C1	C4	C5	59.933	C1	C4	H8	118.453
C1	C4	H10	116.364	C1	C5	C4	59.933
C1	C5	H9	118.453	C1	C5	H11	116.364
H2	C1	N3	118.536	H2	C1	C4	115.679
H2	C1	C5	115.679	N3	C1	C4	116.816
N3	C1	C5	116.816	C4	C1	C5	60.134
C4	C5	H9	118.608	C4	C5	H11	117.142
C5	C4	H8	118.608	C5	C4	H10	117.142
H6	N3	H7	106.913	H8	C4	H10	115.230
H9	C5	H11	115.230

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.007
2	H	0.101
3	N	-0.566
4	C	-0.299
5	C	-0.299
6	H	0.250
7	H	0.250
8	H	0.137
9	H	0.137
10	H	0.148
11	H	0.148

	x	y	z	Total
	-0.695	1.023	0.000	1.237
CHELPG
AIM
ESP

	x	y	z
x	5.403	0.540	0.000
y	0.540	5.921	0.000
z	0.000	0.000	5.625

<r²>	76.808
(<r²>)^1/2	8.764

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)