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	hartrees
Energy at 0K	-173.249881
Energy at 298.15K	-173.258311
Nuclear repulsion energy	125.551370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3507	3372	0.64
2	A	3236	3111	15.15
3	A	3144	3023	6.03
4	A	3071	2953	49.89
5	A	1654	1591	14.49
6	A	1501	1443	18.69
7	A	1409	1355	19.44
8	A	1248	1200	1.08
9	A	1179	1134	5.74
10	A	1052	1012	13.81
11	A	1019	979	5.69
12	A	844	812	56.29
13	A	813	782	91.12
14	A	773	743	3.72
15	A	409	394	5.69
16	A	3586	3448	1.22
17	A	3223	3099	0.18
18	A	3139	3018	21.02
19	A	1449	1393	2.93
20	A	1268	1219	1.34
21	A	1195	1149	0.22
22	A	1131	1088	0.75
23	A	1070	1029	1.73
24	A	908	873	9.34
25	A	843	811	3.30
26	A	398	382	5.33
27	A	270	259	30.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.525	0.000
H2	-0.419	1.531	0.000
N3	1.429	0.382	0.000
C4	-0.788	-0.505	0.751
C5	-0.788	-0.505	-0.751
H6	1.836	0.823	0.816
H7	1.836	0.823	-0.816
H8	-1.684	-0.190	1.269
H9	-1.684	-0.190	-1.269
H10	-0.218	-1.281	1.243
H11	-0.218	-1.281	-1.243

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0896	1.4365	1.4984	1.4984	2.0309	2.0309	2.2269	2.2269	2.2031	2.2031
H2	1.0896		2.1763	2.2009	2.2009	2.4999	2.4999	2.4849	2.4849	3.0808	3.0808
N3	1.4365	2.1763		2.5032	2.5032	1.0126	1.0126	3.4105	3.4105	2.6498	2.6498
C4	1.4984	2.2009	2.5032		1.5021	2.9414	3.3320	1.0819	2.2323	1.0816	2.2147
C5	1.4984	2.2009	2.5032	1.5021		3.3320	2.9414	2.2323	1.0819	2.2147	1.0816
H6	2.0309	2.4999	1.0126	2.9414	3.3320		1.6311	3.6910	4.2147	2.9709	3.5892
H7	2.0309	2.4999	1.0126	3.3320	2.9414	1.6311		4.2147	3.6910	3.5892	2.9709
H8	2.2269	2.4849	3.4105	1.0819	2.2323	3.6910	4.2147		2.5382	1.8276	3.1068
H9	2.2269	2.4849	3.4105	2.2323	1.0819	4.2147	3.6910	2.5382		3.1068	1.8276
H10	2.2031	3.0808	2.6498	1.0816	2.2147	2.9709	3.5892	1.8276	3.1068		2.4867
H11	2.2031	3.0808	2.6498	2.2147	1.0816	3.5892	2.9709	3.1068	1.8276	2.4867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.852	C1	N3	H7	110.852
C1	C4	C5	59.919	C1	C4	H8	118.424
C1	C4	H10	116.352	C1	C5	C4	59.919
C1	C5	H9	118.424	C1	C5	H11	116.352
H2	C1	N3	118.331	H2	C1	C4	115.613
H2	C1	C5	115.613	N3	C1	C4	117.044
N3	C1	C5	117.044	C4	C1	C5	60.162
C4	C5	H9	118.612	C4	C5	H11	117.078
C5	C4	H8	118.612	C5	C4	H10	117.078
H6	N3	H7	107.298	H8	C4	H10	115.296
H9	C5	H11	115.296

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3PW91/cc-pVTZ

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	-0.013
2	H	0.078
3	N	-0.305
4	C	-0.210
5	C	-0.210
6	H	0.128
7	H	0.128
8	H	0.101
9	H	0.101
10	H	0.101
11	H	0.101

<r²>	77.198
(<r²>)^1/2	8.786

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)