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	hartrees
Energy at 0K	-211.192690
Energy at 298.15K	-211.204118
HF Energy	-211.192690
Nuclear repulsion energy	187.948063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3375	0.01
2	A'	3262	2964	82.00
3	A'	3229	2934	24.79
4	A'	3208	2915	42.94
5	A'	3189	2898	47.31
6	A'	3131	2845	90.01
7	A'	1795	1631	32.83
8	A'	1633	1483	3.47
9	A'	1599	1452	1.82
10	A'	1514	1376	28.72
11	A'	1421	1291	3.24
12	A'	1344	1221	2.45
13	A'	1263	1148	14.11
14	A'	1156	1050	8.82
15	A'	1016	923	5.45
16	A'	953	866	14.22
17	A'	943	857	92.70
18	A'	871	791	42.76
19	A'	727	660	0.91
20	A'	431	392	5.15
21	A'	159	145	1.18
22	A"	3794	3447	0.97
23	A"	3235	2939	19.09
24	A"	3186	2894	91.97
25	A"	1594	1449	1.60
26	A"	1470	1335	0.72
27	A"	1394	1267	0.28
28	A"	1380	1254	0.62
29	A"	1325	1204	0.44
30	A"	1271	1155	0.33
31	A"	1114	1012	0.15
32	A"	999	907	0.22
33	A"	983	893	2.79
34	A"	823	748	0.13
35	A"	422	384	10.41
36	A"	294	268	34.30

Atom	x (Å)	y (Å)	z (Å)
N1	-1.348	0.997	0.000
H2	-1.582	1.592	0.776
H3	-1.582	1.592	-0.776
C4	0.456	-0.271	-1.087
H5	-0.301	-0.364	-1.856
H6	1.447	-0.105	-1.491
C7	0.456	-0.271	1.087
H8	-0.301	-0.364	1.856
H9	1.447	-0.105	1.491
C10	0.092	0.756	0.000
H11	0.680	1.677	0.000
C12	0.456	-1.373	0.000
H13	1.330	-2.016	0.000
H14	-0.467	-1.936	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0057	1.0057	2.4578	2.5287	3.3539	2.4578	2.5287	3.3539	1.4600	2.1388	2.9784	4.0308	3.0617
H2	1.0057		1.5519	3.3305	3.5210	4.1465	2.7783	2.5759	3.5448	2.0256	2.3927	3.6809	4.7011	3.7802
H3	1.0057	1.5519		2.7783	2.5759	3.5448	3.3305	3.5210	4.1465	2.0256	2.3927	3.6809	4.7011	3.7802
C4	2.4578	3.3305	2.7783		1.0838	1.0832	2.1734	3.0404	2.7667	1.5388	2.2412	1.5482	2.2343	2.1921
H5	2.5287	3.5210	2.5759	1.0838		1.8050	3.0404	3.7128	3.7855	2.2039	2.9284	2.2445	2.9724	2.4377
H6	3.3539	4.1465	3.5448	1.0832	1.8050		2.7667	3.7855	2.9821	2.1910	2.4465	2.1943	2.4272	3.0397
C7	2.4578	2.7783	3.3305	2.1734	3.0404	2.7667		1.0838	1.0832	1.5388	2.2412	1.5482	2.2343	2.1921
H8	2.5287	2.5759	3.5210	3.0404	3.7128	3.7855	1.0838		1.8050	2.2039	2.9284	2.2445	2.9724	2.4377
H9	3.3539	3.5448	4.1465	2.7667	3.7855	2.9821	1.0832	1.8050		2.1910	2.4465	2.1943	2.4272	3.0397
C10	1.4600	2.0256	2.0256	1.5388	2.2039	2.1910	1.5388	2.2039	2.1910		1.0919	2.1606	3.0364	2.7496
H11	2.1388	2.3927	2.3927	2.2412	2.9284	2.4465	2.2412	2.9284	2.4465	1.0919		3.0583	3.7498	3.7901
C12	2.9784	3.6809	3.6809	1.5482	2.2445	2.1943	1.5482	2.2445	2.1943	2.1606	3.0583		1.0848	1.0809
H13	4.0308	4.7011	4.7011	2.2343	2.9724	2.4272	2.2343	2.9724	2.4272	3.0364	3.7498	1.0848		1.7986
H14	3.0617	3.7802	3.7802	2.1921	2.4377	3.0397	2.1921	2.4377	3.0397	2.7496	3.7901	1.0809	1.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.057	N1	C10	C7	110.057
N1	C10	H11	113.095	H2	N1	H3	100.986
H2	N1	C10	109.078	H3	N1	C10	109.078
C4	C10	C7	89.851	C4	C10	H11	115.801
C4	C12	C7	89.159	C4	C12	H13	114.976
C4	C12	H14	111.745	H5	C4	H6	112.799
H5	C4	C10	113.213	H5	C4	C12	115.899
H6	C4	C10	112.191	H6	C4	C12	111.778
C7	C10	H11	115.801	C7	C12	H13	114.976
C7	C12	H14	111.745	H8	C7	H9	112.799
H8	C7	C10	113.213	H8	C7	C12	115.899
H9	C7	C10	112.191	H9	C7	C12	111.778
C10	C4	C12	88.838	C10	C7	C12	88.838
H13	C12	H14	112.302

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/TZVP

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	N	-0.485
2	H	0.188
3	H	0.188
4	C	-0.289
5	H	0.095
6	H	0.079
7	C	-0.289
8	H	0.095
9	H	0.079
10	C	0.191
11	H	0.097
12	C	-0.123
13	H	0.093
14	H	0.082

	x	y	z	Total
	0.389	1.245	0.000	1.304
CHELPG
AIM
ESP

	x	y	z
x	7.351	-0.458	0.000
y	-0.458	7.443	0.000
z	0.000	0.000	7.514

<r²>	113.689
(<r²>)^1/2	10.663

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)