%chk=000051236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051236

0 1
 S    4.485300      -2.006200      0.3969000    
 N   0.2430000     -0.3302000     -2.9100001E-02
 N    1.326900       1.680000     -0.7167000    
 N   -3.662600      0.9362000      0.8421000    
 N    2.574700     -0.2579000     -0.2101000    
 N    1.940200      -2.349000      0.6926000    
 C    2.584300       2.369200     -0.9694000    
 C    2.400100       3.866200     -0.7078000    
 C   -1.084100      7.5300001E-02  0.2489000    
 C   -2.189300     -0.6176000     -0.2635000    
 C    2.983500       2.107600      -2.416000    
 C    1.369700      0.4423000     -0.3070000    
 C   -3.478100     -0.1462000      6.2700003E-02
 C   -1.271000       1.190900       1.052300    
 C    1.974700       4.159500      0.7249000    
 C   -2.569600       1.576400       1.316500    
 C   -2.033700      -1.750700      -1.079900    
 C   -4.575700     -0.8349000     -0.4466000    
 C   -3.148800      -2.420200      -1.575400    
 C   -4.421200      -1.961500      -1.258100    
 C   -2.818900       2.770600       2.176200    
 C    2.853500      -1.503700      0.2875000    
 C    3.946900      -3.498400       1.048500    
 C    2.570200      -3.497700       1.130300    
 H    3.390800       2.062600     -0.2937000    
 H    3.339000       4.393600     -0.9155000    
 H    1.644000       4.279000      -1.387400    
 H    2.211400       2.460900      -3.109100    
 H    3.916500       2.626600      -2.659600    
 H    3.134000       1.041800      -2.614600    
 H   0.3574000      -1.338300     -5.0900001E-02
 H  -0.4361000       1.737600       1.477400    
 H    2.688600       3.740400       1.441100    
 H   0.9842000       3.749600      0.9426000    
 H    1.928100       5.241100      0.8876000    
 H   -1.055800      -2.134400      -1.357700    
 H   -5.583200     -0.4956000     -0.2128000    
 H    3.409600      0.2213000     -0.5286000    
 H   -3.025100      -3.294200      -2.207700    
 H   -5.297000      -2.477500      -1.640900    
 H   -3.891900       2.957200       2.289500    
 H   -2.395900       2.616200       3.174000    
 H   -2.366700       3.662000       1.729900    
 H    4.638900      -4.278900       1.330500    
 H    1.971600      -4.316700       1.505500    


%chk=000051236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051236

0 1
S 4.425596 -2.426567 -0.413425
N 0.275034 -0.211466 -0.137723
N 1.472222 1.855355 -0.279737
N -3.813546 1.054108 0.165627
N 2.636524 -0.262076 -0.333862
N 1.755951 -2.507057 -0.215970
C 2.729877 2.619617 -0.443194
C 2.555076 3.997595 0.243307
C -1.055489 0.237668 -0.037467
C -2.100560 -0.769147 0.074465
C 3.062671 2.780515 -1.949628
C 1.436716 0.548493 -0.251559
C -3.464814 -0.293661 0.172254
C -1.429549 1.590050 -0.040823
C 2.330605 3.888807 1.764085
C -2.811700 1.954542 0.062349
C -1.862898 -2.181736 0.094220
C -4.529506 -1.244054 0.283095
C -2.924033 -3.086833 0.204277
C -4.268949 -2.616360 0.299172
C -3.196651 3.420510 0.056968
C 2.759639 -1.635760 -0.307210
C 3.570752 -4.017015 -0.320161
C 2.208150 -3.832664 -0.223891
H 3.602300 2.128753 0.065902
H 3.452572 4.612482 0.031613
H 1.690375 4.501931 -0.230024
H 2.229777 3.296690 -2.458920
H 3.981088 3.380990 -2.084044
H 3.205824 1.804245 -2.448848
H 0.444608 -1.236909 -0.132687
H -0.656377 2.354148 -0.124989
H 3.202629 3.428033 2.267254
H 1.444857 3.264031 1.974989
H 2.168492 4.883717 2.216763
H -0.844230 -2.580581 0.024113
H -5.545855 -0.844468 0.354320
H 3.497235 0.283555 -0.392281
H -2.722774 -4.163871 0.218333
H -5.092755 -3.333646 0.384532
H -4.290185 3.516283 0.139503
H -2.724322 3.958791 0.900401
H -2.861478 3.916425 -0.873497
H 4.142403 -4.940962 -0.343399
H 1.477100 -4.638204 -0.154803


