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	hartrees
Energy at 0K	-172.828309
Energy at 298.15K	-172.836800
HF Energy	-172.106540
Nuclear repulsion energy	125.273477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3359	0.26
2	A'	3291	3118	11.84
3	A'	3196	3027	4.69
4	A'	3141	2976	37.13
5	A'	1694	1604	15.29
6	A'	1537	1457	15.31
7	A'	1443	1367	16.90
8	A'	1263	1197	0.29
9	A'	1201	1138	8.43
10	A'	1085	1028	12.70
11	A'	1041	986	7.91
12	A'	894	847	121.29
13	A'	839	795	14.57
14	A'	783	742	2.37
15	A'	407	386	5.79
16	A"	3628	3437	1.13
17	A"	3279	3107	0.23
18	A"	3188	3021	13.59
19	A"	1478	1400	1.15
20	A"	1301	1233	0.98
21	A"	1219	1155	0.11
22	A"	1160	1099	0.35
23	A"	1100	1042	0.93
24	A"	934	885	9.33
25	A"	857	812	2.09
26	A"	404	383	8.12
27	A"	278	264	31.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.410	0.000
H2	-1.266	0.938	0.000
N3	0.891	1.199	0.000
C4	-0.311	-0.890	0.752
C5	-0.311	-0.890	-0.752
H6	0.924	1.792	0.818
H7	0.924	1.792	-0.818
H8	-1.214	-1.178	1.277
H9	-1.214	-1.178	-1.277
H10	0.601	-1.170	1.265
H11	0.601	-1.170	-1.265

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0909	1.4377	1.5024	1.5024	2.0258	2.0258	2.2294	2.2294	2.2199	2.2199
H2	1.0909		2.1733	2.1950	2.1950	2.4895	2.4895	2.4720	2.4720	3.0863	3.0863
N3	1.4377	2.1733		2.5247	2.5247	1.0109	1.0109	3.4225	3.4225	2.7008	2.7008
C4	1.5024	2.1950	2.5247		1.5050	2.9536	3.3444	1.0833	2.2399	1.0824	2.2313
C5	1.5024	2.1950	2.5247	1.5050		3.3444	2.9536	2.2399	1.0833	2.2313	1.0824
H6	2.0258	2.4895	1.0109	2.9536	3.3444		1.6355	3.6888	4.2171	3.0130	3.6353
H7	2.0258	2.4895	1.0109	3.3444	2.9536	1.6355		4.2171	3.6888	3.6353	3.0130
H8	2.2294	2.4720	3.4225	1.0833	2.2399	3.6888	4.2171		2.5540	1.8144	3.1229
H9	2.2294	2.4720	3.4225	2.2399	1.0833	4.2171	3.6888	2.5540		3.1229	1.8144
H10	2.2199	3.0863	2.7008	1.0824	2.2313	3.0130	3.6353	1.8144	3.1229		2.5296
H11	2.2199	3.0863	2.7008	2.2313	1.0824	3.6353	3.0130	3.1229	1.8144	2.5296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.435	C1	N3	H7	110.435
C1	C4	C5	59.943	C1	C4	H8	118.228
C1	C4	H10	117.449	C1	C5	C4	59.943
C1	C5	H9	118.228	C1	C5	H11	117.449
H2	C1	N3	117.860	H2	C1	C4	114.721
H2	C1	C5	114.721	N3	C1	C4	118.328
N3	C1	C5	118.328	C4	C1	C5	60.115
C4	C5	H9	118.959	C4	C5	H11	118.250
C5	C4	H8	118.959	C5	C4	H10	118.250
H6	N3	H7	107.979	H8	C4	H10	113.814
H9	C5	H11	113.814

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: QCISD/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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All results from a given calculation for C3H7N (Cyclopropylamine)

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

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)