%chk=000178591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178591

0 1
 S  -0.8210000      -1.637000      0.8028000    
 P   0.2223000     -0.3159000     -0.4764000    
 O   0.1045000     -0.8430000      -1.891100    
 N  -0.4052000       1.191400     -0.2432000    
 N    1.771000     -0.2484000      8.6599998E-02
 C  -0.4730000       1.731000       1.114900    
 C   -1.677800       1.540400     -0.8704000    
 C    2.707600      0.6975000     -0.5204000    
 C    2.522000      -1.489200      0.2629000    
 C   -1.340900       2.978000       1.018400    
 C   -1.921700       2.955100     -0.3862000    
 C    4.081100      0.3147000      1.3200000E-02
 C    3.876400      -1.005100      0.7387000    
 C   -2.550100      -1.527200      0.2998000    
 C   -2.688300      -1.943700      -1.159700    
 C   -3.406700      -2.398600       1.210400    
 H   0.5222000       1.976400       1.498200    
 H  -0.9375000       1.029900       1.815200    
 H   -2.522600      0.9296000     -0.5857000    
 H   -1.600500       1.513000      -1.962100    
 H    2.459900       1.732100     -0.2647000    
 H    2.693000      0.6052000      -1.612900    
 H    2.611700      -2.025600     -0.6891000    
 H    2.073300      -2.159400       1.000600    
 H  -0.7594000       3.891900       1.179700    
 H   -2.139000       2.948800       1.768300    
 H   -2.981800       3.225900     -0.3999000    
 H   -1.383900       3.671600      -1.019400    
 H    4.476600       1.072500      0.6978000    
 H    4.793600      0.1996000     -0.8110000    
 H    4.674200      -1.722600      0.5249000    
 H    3.859400     -0.8316000       1.821800    
 H   -2.917700     -0.5203000      0.4693000    
 H   -3.748500      -2.046300      -1.420600    
 H   -2.285600      -1.195900      -1.845100    
 H   -2.213000      -2.909500      -1.364900    
 H   -4.464800      -2.313700      0.9379000    
 H   -3.316300      -2.093700       2.259200    
 H   -3.133000      -3.457400       1.135700    


%chk=000178591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178591

0 1
S -0.919765 -1.589764 1.045973
P -0.046135 -0.068121 -0.510256
O -0.596866 -0.415438 -1.982357
N -0.429428 1.561838 -0.054273
N 1.637404 -0.166525 -0.124769
C -0.285148 2.026593 1.358723
C -1.532861 2.285398 -0.759090
C 2.584398 0.978920 -0.306918
C 2.355464 -1.477706 -0.107431
C -1.500945 2.962123 1.569932
C -1.771317 3.514708 0.147023
C 3.927788 0.288341 -0.643247
C 3.828717 -1.062590 0.109978
C -2.278632 -2.338227 -0.102649
C -2.344107 -3.850387 0.174908
C -3.621722 -1.624203 0.119410
H 0.667871 2.577278 1.483805
H -0.286042 1.168475 2.057681
H -2.449110 1.662070 -0.829737
H -1.228841 2.548865 -1.785814
H 2.665717 1.560546 0.633304
H 2.243576 1.663955 -1.102764
H 2.236482 -2.012818 -1.072154
H 1.964009 -2.124184 0.695809
H -1.296118 3.754531 2.309781
H -2.371238 2.376762 1.920214
H -2.789453 3.922546 0.027404
H -1.047394 4.313893 -0.097155
H 4.796253 0.895077 -0.333794
H 3.999319 0.109174 -1.731925
H 4.532403 -1.822651 -0.270062
H 4.025862 -0.915388 1.187885
H -1.901021 -2.137091 -1.122601
H -3.096553 -4.316292 -0.490657
H -1.369707 -4.334081 -0.009185
H -2.642327 -4.055544 1.219729
H -4.395242 -2.063409 -0.541201
H -3.544024 -0.548256 -0.116132
H -3.960767 -1.727920 1.166114


