%chk=000038428.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038428

0 1
 S   -1.071000      -3.813800      0.2613000    
 S   -1.549400      -2.249900     -0.9852000    
 N    1.518600      -1.656100      0.4011000    
 N   -3.239600      0.6594000     -0.6973000    
 N    2.195200      -3.784800       1.293500    
 N   -4.440800     -0.8284000      -2.156300    
 C    2.911500     -9.6000001E-02 -0.8240000    
 C   -2.018200       2.146900      0.7778000    
 C    2.553000       1.084000      7.4000001E-02
 C    4.307700      0.2784000      -1.311100    
 C   -1.105000       2.303600       1.989800    
 C   -1.205700       2.810200     -0.3296000    
 C    3.093500       2.298100     -0.6752000    
 C    4.215000       1.777600      -1.575700    
 C  -0.5213000       3.704700       1.835900    
 C  -0.5971000       4.035500      0.3444000    
 C    2.867100      -1.432000     -0.1034000    
 C   -2.371500      0.7009000      0.4773000    
 C    1.306500      -2.765800       1.031800    
 C   -3.624600     -0.5083000      -1.094400    
 C  -0.1064000      -2.979900       1.544500    
 C   -3.117700      -1.684400     -0.2790000    
 H    2.219600     -0.1154000      -1.677500    
 H   -2.938100       2.726300      0.9398000    
 H    1.479000       1.161800      0.2581000    
 H    3.053100       1.000500       1.047000    
 H    4.600300     -0.2785000      -2.206600    
 H    5.058600      8.6099997E-02 -0.5348000    
 H  -0.2975000       1.561700       1.973100    
 H   -1.644600       2.187600       2.934900    
 H   -1.820700       3.089800      -1.190800    
 H  -0.4114000       2.147300     -0.6905000    
 H    2.305500       2.749900      -1.288700    
 H    3.450000       3.066700      1.7999999E-02
 H    5.167000       2.278300      -1.372700    
 H    3.963100       1.964300      -2.626100    
 H   -1.111000       4.430300       2.407800    
 H   0.5066000       3.749200       2.210100    
 H   -1.237200       4.912100      0.1916000    
 H   0.3875000       4.272100     -7.1400002E-02
 H    3.587600      -1.433000      0.7242000    
 H    3.151800      -2.223800     -0.8073000    
 H   -2.893600      0.3353000       1.369300    
 H   -1.434600      0.1562000      0.3334000    
 H  -0.5650000      -2.029600       1.835800    
 H  -7.9099998E-02  -3.620000       2.432200    
 H   -3.838200      -2.502500     -0.4074000    
 H   -3.060700      -1.530800      0.7977000    
 H    3.162800      -3.743100      0.9935000    
 H    1.912100      -4.621200       1.793500    
 H   -4.826600     -0.1035000      -2.751800    
 H   -4.677100      -1.788100      -2.385200    


%chk=000038428-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038428

0 1
S -1.262044 -4.836157 0.391384
S -1.995527 -3.136481 -0.955318
N 1.288227 -1.918967 0.603280
N -3.280075 0.523415 -0.087059
N 1.684490 -3.924623 -0.697001
N -4.449255 -1.262855 -1.017720
C 2.324294 0.303843 0.231899
C -1.825099 2.512199 0.052036
C 3.055305 0.429713 1.592201
C 3.134448 1.233785 -0.723769
C -0.799565 3.326875 0.898658
C -1.148709 2.385487 -1.336486
C 3.436772 1.927970 1.647789
C 3.897976 2.250363 0.194235
C 0.078654 4.127509 -0.124155
C -0.483711 3.768829 -1.534301
C 2.182492 -1.136357 -0.285579
C -2.213815 1.165974 0.697548
C 1.106708 -3.192721 0.338696
C -3.395059 -0.767361 -0.252269
C 0.200466 -3.970234 1.268419
C -2.512494 -1.857985 0.366561
H 1.300605 0.711392 0.358801
H -2.755317 3.102326 -0.071931
H 2.431199 0.093752 2.437439
H 3.972470 -0.196160 1.582061
H 2.468725 1.744704 -1.443708
H 3.853806 0.637792 -1.320288
H -0.166616 2.635998 1.491256
H -1.309065 3.991038 1.620339
H -1.865951 2.120524 -2.132362
H -0.374916 1.589377 -1.302704
H 2.542091 2.529007 1.905840
H 4.213455 2.153043 2.400894
H 4.990186 2.101703 0.102837
H 3.692125 3.300512 -0.081542
H 0.050566 5.216168 0.063389
H 1.136846 3.814883 -0.044890
H -1.251885 4.507249 -1.836495
H 0.297627 3.767958 -2.316224
H 3.200234 -1.593554 -0.347565
H 1.773259 -1.117251 -1.324254
H -2.592323 1.362931 1.723918
H -1.288710 0.551043 0.805158
H -0.192119 -3.280635 2.026834
H 0.726699 -4.810763 1.758375
H -3.075973 -2.409021 1.138398
H -1.589246 -1.440475 0.792543
H 2.244657 -3.455063 -1.404764
H 1.311933 -4.847556 -0.918696
H -5.082065 -0.591854 -1.448722
H -4.517777 -2.255389 -1.233586


