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	hartrees
Energy at 0K	-172.346736
Energy at 298.15K	-172.355079
Nuclear repulsion energy	125.901690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3424	3382	0.43
2	A	3169	3130	7.20
3	A	3072	3034	3.07
4	A	2974	2937	55.85
5	A	1585	1565	21.34
6	A	1453	1435	33.45
7	A	1358	1341	9.40
8	A	1224	1209	0.01
9	A	1162	1148	4.35
10	A	1028	1016	4.63
11	A	983	971	27.68
12	A	833	823	10.38
13	A	762	753	157.55
14	A	755	746	3.58
15	A	406	401	5.46
16	A	3507	3463	2.83
17	A	3157	3118	0.28
18	A	3068	3030	12.95
19	A	1371	1354	9.99
20	A	1224	1209	1.05
21	A	1147	1133	0.24
22	A	1075	1062	0.89
23	A	1013	1001	2.79
24	A	902	891	9.11
25	A	813	803	1.63
26	A	399	394	8.93
27	A	275	272	33.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.423	0.000
H2	-1.277	0.974	0.000
N3	0.904	1.146	0.000
C4	-0.322	-0.869	0.747
C5	-0.322	-0.869	-0.747
H6	0.987	1.741	0.828
H7	0.987	1.741	-0.828
H8	-1.230	-1.171	1.273
H9	-1.230	-1.171	-1.273
H10	0.617	-1.124	1.242
H11	0.617	-1.124	-1.242

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1024	1.4229	1.4929	1.4929	2.0332	2.0332	2.2327	2.2327	2.1951	2.1951
H2	1.1024		2.1874	2.2065	2.2065	2.5291	2.5291	2.4946	2.4946	3.0875	3.0875
N3	1.4229	2.1874		2.4739	2.4739	1.0228	1.0228	3.3969	3.3969	2.6027	2.6027
C4	1.4929	2.2065	2.4739		1.4949	2.9207	3.3174	1.0916	2.2353	1.0918	2.2148
C5	1.4929	2.2065	2.4739	1.4949		3.3174	2.9207	2.2353	1.0916	2.2148	1.0918
H6	2.0332	2.5291	1.0228	2.9207	3.3174		1.6552	3.6864	4.2193	2.9178	3.5531
H7	2.0332	2.5291	1.0228	3.3174	2.9207	1.6552		4.2193	3.6864	3.5531	2.9178
H8	2.2327	2.4946	3.3969	1.0916	2.2353	3.6864	4.2193		2.5453	1.8485	3.1209
H9	2.2327	2.4946	3.3969	2.2353	1.0916	4.2193	3.6864	2.5453		3.1209	1.8485
H10	2.1951	3.0875	2.6027	1.0918	2.2148	2.9178	3.5531	1.8485	3.1209		2.4840
H11	2.1951	3.0875	2.6027	2.2148	1.0918	3.5531	2.9178	3.1209	1.8485	2.4840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.428	C1	N3	H7	111.428
C1	C4	C5	59.956	C1	C4	H8	118.688
C1	C4	H10	115.385	C1	C5	C4	59.956
C1	C5	H9	118.688	C1	C5	H11	115.385
H2	C1	N3	119.500	H2	C1	C4	115.643
H2	C1	C5	115.643	N3	C1	C4	116.066
N3	C1	C5	116.066	C4	C1	C5	60.089
C4	C5	H9	118.759	C4	C5	H11	116.935
C5	C4	H8	118.759	C5	C4	H10	116.935
H6	N3	H7	108.028	H8	C4	H10	115.691
H9	C5	H11	115.691

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: LSDA/6-311G**

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	-0.170
2	H	0.145
3	N	-0.460
4	C	-0.292
5	C	-0.292
6	H	0.217
7	H	0.217
8	H	0.156
9	H	0.156
10	H	0.162
11	H	0.162

	x	y	z	Total
	-0.607	1.198	0.000	1.344
CHELPG
AIM
ESP

	x	y	z
x	5.967	0.549	0.000
y	0.549	6.443	0.000
z	0.000	0.000	6.077

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)