50 
# TS1-2NiP1 (B3LYP) 
Ni -1.3521470 -0.0237210 -0.0053170
O  -2.8500960  1.2588920 -0.0167910
C  -3.7381020  0.3412820 -0.0048130
C  -3.2764250 -1.2813940  0.0107670
C  -1.8471550 -1.8055190 -0.0187970
O  -4.9439240  0.4485450  0.0005900
H  -3.8289930 -1.6345030 -0.8568320
H  -3.7875860 -1.6123070  0.9117650
H  -1.5827470 -2.3385840 -0.9282310
H  -1.5512580 -2.3740730  0.8577800
P   0.7767270  0.0051470  0.0004450
C   1.4720440 -0.3571690  1.7443410
C   1.5928710 -1.1735690 -1.2632120
C   1.1964680  1.8168440 -0.4710070
C   0.9429510  2.0198200 -1.9737190
C   0.2003480  2.7526580  0.2451440
H   0.2930690  2.7389910  1.3241920
H   0.4039660  3.7731550 -0.0869020
H  -0.8344240  2.5281030 -0.0090450
C   2.6273170  2.2625130 -0.1456430
H   2.7630950  3.2825030 -0.5128570
H   2.8221920  2.2794390  0.9231370
H   3.3820170  1.6411420 -0.6198440
C   3.0410770 -0.8191280 -1.6287280
H   3.4213360 -1.5817800 -2.3122610
H   3.1161560  0.1360310 -2.1402700
H   3.6994580 -0.7969090 -0.7650540
C   0.7472310 -1.1800430 -2.5511500
H   0.7855660 -0.2408490 -3.0897430
H   1.1387990 -1.9550640 -3.2134570
H  -0.2954000 -1.4065050 -2.3462150
C   1.5687800 -2.6121090 -0.7211940
H   0.5696720 -2.9208290 -0.4258030
H   1.8979380 -3.2797610 -1.5197160
H   2.2418900 -2.7576800  0.1182190
H  -0.0502260  1.6803600 -2.2645900
H   1.6828150  1.5302330 -2.5999400
H   0.9969380  3.0895660 -2.1834370
C   2.9909460 -0.5703250  1.7983630
H   3.2875940 -0.6843650  2.8434900
H   3.3023910 -1.4713080  1.2770940
H   3.5469690  0.2690670  1.3904040
C   0.7658710 -1.5991770  2.3166120
H   1.1767680 -1.7975920  3.3087480
H  -0.3009710 -1.4198210  2.4253620
H   0.9007200 -2.4934310  1.7194390
C   1.1029440  0.7948250  2.6932630
H   1.3453040  0.4841040  3.7114390
H   1.6578300  1.7057470  2.4922480
H   0.0375020  1.0173350  2.6613220
