%chk=000059455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059455

0 1
 S   -2.826200      -1.955000     -0.8369000    
 N   -4.811600      0.8829000     -0.1889000    
 N   -5.755700     -0.8488000      0.8359000    
 C    4.833900     -8.6900003E-02 -0.2433000    
 C    6.249000     -0.5261000      0.1423000    
 C    3.775600      -1.169200      6.0000003E-04
 C    7.317500      0.5279000     -0.1666000    
 C    2.356700     -0.7238000     -0.3631000    
 C    8.723000      0.1240000      0.2847000    
 C    1.300200      -1.805200     -0.1071000    
 C    9.747000       1.208400     -5.8600001E-02
 C  -0.1079000      -1.389800     -0.5487000    
 C    11.14570      0.8261000      0.4252000    
 C   -1.166900      -2.464000     -0.3000000    
 C    12.15940       1.916000      0.1156000    
 C   -3.251200     -0.9150000      0.5786000    
 C   -4.622800     -0.3233000      0.4264000    
 C   -6.155700       1.154000     -0.1752000    
 C   -6.723200      5.8400001E-02  0.4695000    
 C   -6.901300       2.230700     -0.6567000    
 C   -8.115700      1.7600000E-02  0.6534000    
 C   -8.285700       2.173600     -0.4650000    
 C   -8.884000       1.087700      0.1780000    
 H    4.569000      0.8126000      0.3258000    
 H    4.819600      0.1932000      -1.303800    
 H    6.498500      -1.452800     -0.3891000    
 H    6.270800     -0.7599000       1.213800    
 H    3.799800      -1.462400       1.057400    
 H    4.034000      -2.062100     -0.5819000    
 H    7.040600       1.469900      0.3231000    
 H    7.324200      0.7229000      -1.246300    
 H    2.098900      0.1738000      0.2121000    
 H    2.332400     -0.4399000      -1.422400    
 H    9.007100     -0.8185000     -0.1986000    
 H    8.721000     -5.4200001E-02   1.366700    
 H    1.585300      -2.720600     -0.6400000    
 H    1.287400      -2.050700      0.9620000    
 H    9.446200       2.156000      0.4046000    
 H    9.763500       1.369800      -1.143400    
 H  -8.2199998E-02  -1.143700      -1.618000    
 H  -0.3736000     -0.4684000     -1.7500000E-02
 H    11.13040      0.6481000       1.506800    
 H    11.46240     -0.1081000     -5.3100001E-02
 H   -1.194500      -2.750500      0.7566000    
 H  -0.9051000      -3.364200     -0.8669000    
 H    11.88860       2.855300      0.6082000    
 H    13.15250       1.621300      0.4687000    
 H    12.22220       2.098500     -0.9620000    
 H   -3.229400      -1.521300       1.490300    
 H   -2.518400     -0.1098000      0.6901000    
 H   -4.090900       1.471900     -0.5848000    
 H   -6.434500       3.072400      -1.155600    
 H   -8.590200     -0.8215000       1.151900    
 H   -8.907000       2.990500     -0.8239000    
 H   -9.962600       1.071800      0.3122000    


%chk=000059455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059455

0 1
S -3.529573 -3.754312 -1.126315
N -4.081604 -0.588573 -0.820684
N -3.755127 -0.601339 1.439368
C 3.649345 -0.175629 -0.239571
C 5.156064 -0.345900 0.057052
C 2.862639 -1.504897 -0.183662
C 5.945260 0.982496 0.019176
C 1.359431 -1.341372 -0.500855
C 7.454316 0.804369 0.299845
C 0.573514 -2.670379 -0.418938
C 8.247074 2.130842 0.271915
C -0.927984 -2.499795 -0.756428
C 9.757665 1.946478 0.542998
C -1.694730 -3.826821 -0.631031
C 10.543089 3.275720 0.515481
C -4.257986 -2.828690 0.362997
C -4.012767 -1.350863 0.351819
C -3.841852 0.748182 -0.474043
C -3.648318 0.724818 0.952381
C -3.774308 1.938765 -1.226310
C -3.386245 1.926636 1.648384
C -3.510209 3.127132 -0.511169
C -3.320356 3.121843 0.902380
H 3.210573 0.540230 0.486565
H 3.523355 0.283829 -1.242472
H 5.595830 -1.053403 -0.677145
H 5.281502 -0.817187 1.054575
H 2.977147 -1.954620 0.825001
H 3.312192 -2.226417 -0.898040
H 5.514339 1.686082 0.762070
H 5.811746 1.460634 -0.974020
H 0.912162 -0.608846 0.202287
H 1.244155 -0.908231 -1.516400
H 7.885178 0.105245 -0.447564
H 7.587344 0.319528 1.289902
H 1.027917 -3.409708 -1.111540
H 0.677613 -3.092076 0.602625
H 7.823217 2.828646 1.024425
H 8.111028 2.620378 -0.715432
H -1.034230 -2.109810 -1.787950
H -1.368951 -1.743778 -0.079139
H 9.892948 1.455639 1.528520
H 10.179713 1.250304 -0.210559
H -1.658332 -4.221529 0.400594
H -1.277178 -4.595863 -1.306078
H 10.160929 3.977335 1.281094
H 11.619692 3.116328 0.710557
H 10.447694 3.771732 -0.469167
H -5.337113 -3.060523 0.312715
H -3.856090 -3.257721 1.294017
H -4.169098 -0.990637 -1.754341
H -3.921830 1.953428 -2.311265
H -3.242992 1.916521 2.733145
H -3.451350 4.076774 -1.054487
H -3.120346 4.068603 1.415819


