%chk=000037607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037607

0 1
 S   0.1723000       2.455300       2.110000    
 N    4.493000      -1.125800     -0.2075000    
 C  -0.4211000     -0.4028000      0.2821000    
 C  -0.2518000     -0.5431000       1.827400    
 C   0.7114000      -1.326100     -0.2966000    
 C  -0.1418000      0.9964000     -0.3480000    
 C   -1.821400     -0.9615000     -9.0599999E-02
 C   -1.255200      0.1772000       2.732700    
 C    2.081600     -0.7597000      3.4800000E-02
 C   0.1609000       2.196400      0.3361000    
 C   -1.404400       1.673500       2.524200    
 C    3.176600      -1.677300     -0.5063000    
 C  -0.1661000       1.062700      -1.769800    
 C   -2.868000     -8.1100002E-02 -0.3310000    
 C   -2.009500      -2.334400     -0.1793000    
 C   0.4697000       3.364500     -0.3976000    
 C   0.1243000       2.228700      -2.478000    
 C   0.4532000       3.381300      -1.789100    
 C   -4.125700     -0.5827000     -0.6658000    
 C   -3.267300      -2.836000     -0.5143000    
 C   -4.325400      -1.960000     -0.7576000    
 C    5.547000      -1.983500     -0.7524000    
 C    4.667800     -0.9621000       1.236700    
 H   0.7325000     -0.2249000       2.174300    
 H  -0.3091000      -1.607300       2.100800    
 H   0.6684000      -2.330500      0.1420000    
 H   0.6122000      -1.476000      -1.378800    
 H   -2.242800     -0.2933000       2.656300    
 H  -0.9406000      3.8999999E-03   3.771400    
 H    2.240000      0.2367000     -0.3885000    
 H    2.203700     -0.6912000       1.112100    
 H   -2.147500       1.900000       1.754900    
 H   -1.778900       2.127900       3.448100    
 H    3.064900      -2.685700     -8.5900001E-02
 H    3.056100      -1.763800      -1.593700    
 H  -0.4216000      0.1825000      -2.357500    
 H   -2.756300      0.9953000     -0.2624000    
 H   -1.228400      -3.056100      2.5699999E-02
 H   0.7150000       4.294500      0.1143000    
 H   9.6000001E-02   2.227900      -3.563400    
 H   0.6863000       4.294800      -2.327100    
 H   -4.950400      9.8899998E-02 -0.8531000    
 H   -3.425200      -3.908600     -0.5798000    
 H   -5.305100      -2.350700      -1.016500    
 H    5.435400      -2.088400      -1.837400    
 H    5.537700      -2.984400     -0.3057000    
 H    6.533500      -1.537900     -0.5824000    
 H    4.103200     -0.1078000       1.623400    
 H    5.714200     -0.7280000       1.469200    
 H    4.400700      -1.864300       1.799100    


%chk=000037607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037607

0 1
S -0.442201 2.712136 2.222610
N 4.626916 -1.316676 -0.300738
C -0.399779 -0.277073 0.378402
C -0.295294 -0.338189 1.945186
C 0.749237 -1.224167 -0.165932
C -0.177269 1.138956 -0.240910
C -1.768828 -0.880216 -0.055491
C -1.509871 0.132485 2.771848
C 2.193963 -0.767024 0.137512
C -0.094000 2.395318 0.433324
C -1.936142 1.574918 2.461634
C 3.219451 -1.759361 -0.450081
C 0.010233 1.178834 -1.656952
C -2.767496 -0.121356 -0.719300
C -2.076899 -2.233452 0.259214
C 0.257305 3.579141 -0.274305
C 0.343795 2.348008 -2.362762
C 0.498879 3.563977 -1.659217
C -4.013916 -0.690633 -1.068356
C -3.318639 -2.807277 -0.086853
C -4.297806 -2.038124 -0.757310
C 5.543523 -2.115934 -1.139175
C 5.080459 -1.268830 1.103654
H 0.589030 0.241636 2.264635
H -0.095097 -1.393038 2.217483
H 0.597431 -2.229620 0.273036
H 0.633781 -1.354980 -1.258551
H -2.375977 -0.536513 2.600645
H -1.241249 0.047975 3.842910
H 2.386691 0.230147 -0.297779
H 2.336710 -0.680708 1.230690
H -2.527630 1.642080 1.534651
H -2.517218 2.025790 3.283719
H 3.056965 -2.774353 0.007594
H 3.022576 -1.865958 -1.535448
H -0.105786 0.248709 -2.223049
H -2.569338 0.923684 -0.978337
H -1.344430 -2.852411 0.789932
H 0.307648 4.522255 0.280579
H 0.482534 2.309365 -3.448570
H 0.770286 4.488113 -2.180757
H -4.761734 -0.076803 -1.583686
H -3.522465 -3.853540 0.168878
H -5.262449 -2.481046 -1.028973
H 5.225003 -2.060689 -2.195638
H 5.587849 -3.197697 -0.847726
H 6.566531 -1.704180 -1.068994
H 4.469092 -0.556793 1.682497
H 6.127091 -0.917359 1.138770
H 5.032535 -2.266131 1.614989


