Singlet Geo. CPL 144, 479, 2009
     MG                 1.21530471     0.03060604     0.09178660
     C                  4.60468728     0.43451233    -0.30379742
     N                  2.80153030    -1.24844164    -0.21083678
     N                  2.47026493     1.64283590    -0.34799306
     N                 -0.19679431    -1.66240297    -0.19634084
     N                 -0.30627010     1.30782295    -0.44282720
     C                 -2.19924884    -0.34594092    -0.25192970
     C                 -1.54322756    -1.58745665    -0.19370529
     C                 -1.60020691     0.89230873    -0.38565374
     C                  4.11078024    -0.91898034    -0.24931124
     C                  3.85800232     1.57706201    -0.37013739
     C                  4.92253530    -2.09867951    -0.27004520
     C                  4.05213586    -3.16904409    -0.25032513
     C                  2.72949927    -2.63573802    -0.21058249
     C                  1.54258091    -3.37600048    -0.19822093
     C                  0.21151553    -2.95801297    -0.19866117
     C                 -0.98117585    -3.90060600    -0.27667226
     C                 -2.18619685    -2.95657232    -0.09748097
     C                 -3.69368119    -0.11791766    -0.22593096
     C                 -3.86843324     1.44907720    -0.41270468
     C                 -2.50498999     1.98725169    -0.49348978
     C                 -1.73524969     3.12534217    -0.61515818
     C                 -0.35146123     2.66446475    -0.56252450
     C                  0.82382707     3.45654753    -0.60149972
     C                  2.11568244     2.95102195    -0.51591572
     C                  3.33159072     3.77241942    -0.62473443
     C                  4.38798389     2.93650699    -0.53544748
     C                 -4.32252933    -0.48716618     1.08699410
     O                 -5.62285427    -0.81590033     0.93630932
     O                 -3.76056501    -0.45501101     2.17579162
     N                  0.93480737     0.07030805     2.19999247
     C                 -0.24481863     0.04810543     2.82260467
     C                  1.89335063     0.14793109     3.18223398
     N                 -0.06545791     0.10930558     4.16092643
     C                  1.28114666     0.17287356     4.41477399
     O                 -2.00407349     0.03829552     6.30181049
     C                 -3.19102167    -0.10790368     6.63510259
     C                 -3.54922519    -0.10855535     8.06538854
     C                 -4.26475088    -0.27619338     5.63600447
     C                 -4.83054703    -0.24578619     8.45846045
     C                 -5.54659950    -0.41147963     6.03565225
     C                 -5.91688582    -0.41482385     7.46891057
     O                 -7.09111398    -0.56388910     7.82925532
     H                 -0.94175697    -4.67633013     0.48672515
     H                 -1.00854340    -4.39918524    -1.24769593
     H                 -2.66929975    -3.08831422     0.87436509
     H                 -2.95079134    -3.10796289    -0.85933524
     H                 -5.99103722    -0.96279554     1.82161752
     H                 -4.24250500    -0.61167333    -1.03312437
     O                 -4.95649358     2.00324073    -0.45361586
     H                 -2.04950573     4.15289751    -0.71959309
     H                  0.70384284     4.52490071    -0.71821436
     H                  3.33665032     4.84308445    -0.76322798
     H                  5.44148337     3.18375673    -0.58541123
     H                  5.68426308     0.53732485    -0.33974076
     H                  6.00176364    -2.12182382    -0.31108270
     H                  4.30374076    -4.21927590    -0.26986049
     H                  1.67688012    -4.45354707    -0.21121199
     H                 -2.73210913     0.01191770     8.76313251
     H                 -3.98441068    -0.28337159     4.58962229
     H                 -5.12262622    -0.24772141     9.49864111
     H                 -6.36204689    -0.53122562     5.33392137
     H                 -1.21303921    -0.00972345     2.35307351
     H                  2.94231993     0.17575334     2.93864568
     H                  1.67352291     0.22824438     5.41234408
     H                 -0.80946241     0.09776920     4.85403119

*ACES2(calc=ccsd,geom_opt=cart,basis=6-31G**
mem_size=1gb)

*SIP
MAXMEM=2000


