56 
# TS3-4NiP1 (B3LYP) 
Ni  1.2207510  0.7571470 -0.0505660
O   1.8857610 -1.0207780  0.0818350
O   3.7090940 -2.2596460  0.4250430
C   3.1042790  1.0732160 -0.9170970
H   2.5797690  0.6938810 -1.7998950
H   3.6944110  1.9195130 -1.2414140
C   3.9722460  0.0343260 -0.2485690
H   4.8112610 -0.2504560 -0.8888780
H   4.4203260  0.4306940  0.6673750
C   3.1751970 -1.2093680  0.1203980
C   0.8907640  2.5486250  0.6702820
H   0.6834850  2.3616990  1.7177470
H   0.1777080  3.1924230  0.1797170
C   2.2382100  2.6213680  0.2534180
H   2.4557570  3.3069300 -0.5511110
H   3.0361270  2.5368810  0.9800130
P  -0.9260270 -0.0629250 -0.0109340
C  -1.2170260 -1.2004340 -1.5326320
C  -2.3031220  1.2849930 -0.0735440
C  -1.1526700 -1.0972950  1.5872950
C  -2.6073110 -1.3663320  1.9967010
H  -3.1604920 -1.8993370  1.2277430
H  -2.5961590 -1.9992560  2.8869500
H  -3.1570240 -0.4656370  2.2527360
C  -0.4336130 -0.3320730  2.7139020
H  -0.5336200 -0.9015680  3.6404000
H   0.6280960 -0.2365140  2.4931060
H  -0.8420110  0.6586640  2.8898840
C  -0.4434570 -2.4588850  1.4714140
H   0.5908140 -2.3532070  1.1603690
H  -0.4608380 -2.9213110  2.4610000
H  -0.9540300 -3.1377520  0.7943240
C  -1.9508530  2.3135100 -1.1767870
H  -0.8823150  2.4107660 -1.3392550
H  -2.4061180  2.0546620 -2.1269370
H  -2.3368860  3.2930320 -0.8898290
C  -2.3506980  2.0329980  1.2719570
H  -2.7066180  1.4072970  2.0837850
H  -1.3923430  2.4484600  1.5573940
H  -3.0535860  2.8624940  1.1721690
C  -3.7293410  0.7852680 -0.3561780
H  -3.8282630  0.3515490 -1.3462650
H  -4.0798560  0.0624810  0.3736910
H  -4.4029290  1.6450580 -0.3158420
C  -2.4317690 -2.1323960 -1.3928340
H  -3.3556460 -1.6108490 -1.1682230
H  -2.5712160 -2.6531220 -2.3432320
H  -2.2764980 -2.8919830 -0.6326650
C   0.0165750 -2.0748990 -1.8151640
H  -0.2267440 -2.7158780 -2.6660010
H   0.8811920 -1.4733710 -2.0772020
H   0.3074300 -2.7038570 -0.9845870
C  -1.4040650 -0.3298670 -2.7860860
H  -1.3469300 -0.9800780 -3.6609240
H  -2.3669220  0.1692280 -2.8181510
H  -0.6188780  0.4190810 -2.8820000
