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	hartrees
Energy at 0K	-173.200225
Energy at 298.15K	-173.208698
Nuclear repulsion energy	125.444728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3518	3336	1.81
2	A	3279	3110	17.40
3	A	3186	3022	6.44
4	A	3102	2941	58.81
5	A	1706	1618	16.24
6	A	1542	1463	17.25
7	A	1443	1368	19.04
8	A	1270	1205	0.23
9	A	1204	1142	9.09
10	A	1079	1024	13.30
11	A	1038	985	9.78
12	A	875	829	111.14
13	A	839	795	50.48
14	A	787	746	2.48
15	A	414	392	6.84
16	A	3606	3419	0.16
17	A	3267	3098	0.29
18	A	3181	3016	19.87
19	A	1481	1405	2.05
20	A	1297	1230	1.44
21	A	1216	1153	0.08
22	A	1147	1087	0.50
23	A	1086	1030	1.89
24	A	929	881	10.29
25	A	857	812	1.90
26	A	404	383	10.48
27	A	289	274	39.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.528	0.000
H2	-0.421	1.537	0.000
N3	1.428	0.378	0.000
C4	-0.787	-0.505	0.751
C5	-0.787	-0.505	-0.751
H6	1.830	0.830	0.816
H7	1.830	0.830	-0.816
H8	-1.686	-0.193	1.272
H9	-1.686	-0.193	-1.272
H10	-0.212	-1.281	1.246
H11	-0.212	-1.281	-1.246

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0933	1.4362	1.5006	1.5006	2.0260	2.0260	2.2318	2.2318	2.2069	2.2069
H2	1.0933		2.1824	2.2069	2.2069	2.4963	2.4963	2.4926	2.4926	3.0883	3.0883
N3	1.4362	2.1824		2.5004	2.5004	1.0156	1.0156	3.4123	3.4123	2.6452	2.6452
C4	1.5006	2.2069	2.5004		1.5028	2.9379	3.3295	1.0850	2.2363	1.0844	2.2183
C5	1.5006	2.2069	2.5004	1.5028		3.3295	2.9379	2.2363	1.0850	2.2183	1.0844
H6	2.0260	2.4963	1.0156	2.9379	3.3295		1.6328	3.6895	4.2151	2.9679	3.5885
H7	2.0260	2.4963	1.0156	3.3295	2.9379	1.6328		4.2151	3.6895	3.5885	2.9679
H8	2.2318	2.4926	3.4123	1.0850	2.2363	3.6895	4.2151		2.5443	1.8317	3.1138
H9	2.2318	2.4926	3.4123	2.2363	1.0850	4.2151	3.6895	2.5443		3.1138	1.8317
H10	2.2069	3.0883	2.6452	1.0844	2.2183	2.9679	3.5885	1.8317	3.1138		2.4921
H11	2.2069	3.0883	2.6452	2.2183	1.0844	3.5885	2.9679	3.1138	1.8317	2.4921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.268	C1	N3	H7	110.268
C1	C4	C5	59.951	C1	C4	H8	118.468
C1	C4	H10	116.311	C1	C5	C4	59.951
C1	C5	H9	118.468	C1	C5	H11	116.311
H2	C1	N3	118.636	H2	C1	C4	115.713
H2	C1	C5	115.713	N3	C1	C4	116.710
N3	C1	C5	116.710	C4	C1	C5	60.097
C4	C5	H9	118.684	C4	C5	H11	117.138
C5	C4	H8	118.684	C5	C4	H10	117.138
H6	N3	H7	107.009	H8	C4	H10	115.201
H9	C5	H11	115.201

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-31G*

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	-0.042
2	H	0.155
3	N	-0.757
4	C	-0.362
5	C	-0.362
6	H	0.319
7	H	0.319
8	H	0.175
9	H	0.175
10	H	0.190
11	H	0.190

	x	y	z	Total
	0.045	1.389	0.000	1.390
CHELPG
AIM
ESP

<r²>	76.891
(<r²>)^1/2	8.769

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)