b3lyp-high-precision.inp

job runtype=energy method=b3lyp basis=cc-pvdz
control precision=high
geom
C    -0.151854  -0.019504   0.291605
N    -0.876114  -1.013821   0.787674
C    -2.221660  -0.806368   0.460615
C    -3.293923  -1.655040   0.818364
C    -4.574978  -1.329708   0.425973
C    -4.810555  -0.152897  -0.329548
C    -3.775399   0.704463  -0.697800
C    -2.475794   0.382683  -0.304982
S    -1.028178   1.197029  -0.586597
C     1.291305   0.118390   0.434035
N     2.156497  -0.842237   0.302564
C     3.524700  -0.381579   0.525843
C     3.581578   1.145581   0.761933
S     1.889484   1.715401   0.808641
H    -3.096712  -2.566676   1.404026
H    -5.431513  -1.968846   0.686848
O    -6.121057   0.080334  -0.669228
H    -6.159870   0.900601  -1.183223
H    -3.975548   1.611996  -1.284027
C     4.420417  -0.759999  -0.639045
O     4.663146  -0.126158  -1.666510
O     5.043179  -1.954288  -0.466682
H     5.578553  -2.160340  -1.251724
H     3.905893  -0.929421   1.441680
H     4.079338   1.377009   1.730725
H     4.128366   1.665324  -0.061305