%chk=000037094.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037094

0 1
 S   -3.343400      -2.817000      0.5790000    
 O    1.986000      0.7931000      -1.881400    
 O   -3.140800      -4.123600       1.176700    
 O   -4.477400      -2.593600     -0.2970000    
 N    3.748700     -0.6921000      -1.604800    
 N   -3.311200      -1.620800       1.818900    
 N   -4.220400      0.2916000      0.7783000    
 N   -2.041800      0.3672000       1.805500    
 C   -2.165300       3.998500      -1.025300    
 C   -2.810500       3.783900      0.3579000    
 C    4.688300      0.2548000      -1.051500    
 C   -2.945300       2.332700      0.7499000    
 C   -2.026600       5.497000      -1.305600    
 C   -2.973900       3.337700      -2.144600    
 C    1.680100      -1.518500      -2.534400    
 C    4.528500      0.3811000      0.4483000    
 C   0.4417000      -1.838800      -1.767600    
 C   -1.874200      -2.436400     -0.3316000    
 C    2.460300     -0.3359000      -1.977200    
 C    6.111800     -0.1183000      -1.460400    
 C   0.4942000      -2.737000     -0.7016000    
 C  -0.7689000      -1.239400      -2.115400    
 C   -4.066700       1.589500      0.4434000    
 C   -1.954900       1.662800       1.439000    
 C  -0.6636000      -3.035800      1.6400000E-02
 C   -1.926900      -1.538200      -1.397400    
 C   -3.184800     -0.2488000       1.448400    
 C    4.167000     -0.7319000       1.207400    
 C    4.742400       1.610600       1.071300    
 C    4.019300     -0.6154000       2.589600    
 C    4.594800       1.727100       2.453500    
 C    4.233200      0.6140000       3.212600    
 H   -1.160300       3.556900      -1.025100    
 H   -3.803000       4.253300      0.3882000    
 H   -2.218200       4.300400       1.125000    
 H    4.455800       1.229400      -1.500800    
 H   -3.004900       5.989000      -1.333400    
 H   -1.423800       5.982900     -0.5311000    
 H   -1.533000       5.669200      -2.268000    
 H   -4.019200       3.664200      -2.129300    
 H   -2.948800       2.246400      -2.069700    
 H   -2.557400       3.596000      -3.124600    
 H    1.429200      -1.274900      -3.575100    
 H    2.312800      -2.412500      -2.598900    
 H    4.035100      -1.665000      -1.665800    
 H    6.834200      0.6192000      -1.094000    
 H    6.202300     -0.1707000      -2.550900    
 H    6.400200      -1.096100      -1.057500    
 H    1.432600      -3.206500     -0.4182000    
 H  -0.8229000     -0.5354000      -2.941600    
 H  -0.5980000      -3.731600      0.8478000    
 H   -2.857900      -1.057900      -1.684600    
 H   -4.905300       2.021800     -9.3199998E-02
 H   -1.031700       2.156100       1.725900    
 H   -2.751100      -1.868400       2.645000    
 H    4.007700      -1.705600      0.7527000    
 H    5.026100       2.484800      0.4915000    
 H    3.740800      -1.482600       3.181200    
 H    4.761900       2.684200       2.938800    
 H    4.119000      0.7046000       4.288800    


%chk=000037094-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037094

0 1
S -2.681089 -2.821020 0.825230
O 3.040835 -1.205916 -4.386160
O -2.523065 -4.077068 1.845750
O -4.092653 -2.486525 0.109019
N 3.045640 -1.374225 -2.066709
N -2.130310 -1.419684 1.922733
N -2.416729 0.285727 0.302071
N -2.417581 0.768778 2.700203
C -1.572588 4.922790 0.922054
C -2.876251 4.069004 0.800784
C 3.784144 -0.105271 -1.839424
C -2.683975 2.594077 1.085963
C -1.920213 6.427104 0.834869
C -0.531022 4.532192 -0.150816
C 1.866810 -3.123416 -3.359066
C 3.346389 0.481668 -0.488995
C 0.720401 -3.111204 -2.360639
C -1.317295 -2.923645 -0.465792
C 2.703028 -1.816419 -3.326611
C 5.304063 -0.317944 -2.008088
C 0.768439 -3.889879 -1.174742
C -0.397681 -2.261750 -2.584784
C -2.602868 1.614893 0.063368
C -2.569230 2.090353 2.409626
C -0.257177 -3.803376 -0.205722
C -1.434162 -2.155936 -1.635464
C -2.340770 -0.077326 1.620803
C 1.960221 0.556561 -0.179104
C 4.276702 0.965259 0.463869
C 1.519747 1.087355 1.052105
C 3.837038 1.505283 1.695055
C 2.458402 1.565419 1.996323
H -1.132314 4.724647 1.922404
H -3.287007 4.200818 -0.220285
H -3.629330 4.482293 1.501123
H 3.456034 0.572245 -2.654569
H -2.373537 6.668886 -0.145830
H -2.637792 6.724101 1.622694
H -1.013688 7.049434 0.947241
H -0.933184 4.712284 -1.167029
H -0.241601 3.468424 -0.079222
H 0.388963 5.134933 -0.041703
H 1.499662 -3.213168 -4.394891
H 2.541871 -3.978905 -3.169283
H 2.720447 -1.891464 -1.246151
H 5.845707 0.643977 -1.962665
H 5.495510 -0.765100 -2.997501
H 5.708758 -0.989409 -1.229532
H 1.608814 -4.573641 -1.005849
H -0.448057 -1.669965 -3.505791
H -0.244552 -4.403330 0.709759
H -2.291479 -1.492700 -1.776424
H -2.689611 1.903462 -0.991182
H -2.624795 2.763395 3.274204
H -2.175639 -1.692512 2.913830
H 1.222500 0.190956 -0.904176
H 5.350055 0.919111 0.254706
H 0.447860 1.120805 1.277600
H 4.572723 1.872332 2.419665
H 2.118381 1.973532 2.954543


