%chk=000089330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089330

1 1
 S   -2.543000      -1.359800       1.186100    
 S    1.867100     -0.9099000      0.3519000    
 N   -3.036100      0.5348000     -0.3816000    
 N    3.620900       1.113100      0.3917000    
 C   -4.254500     -7.6300003E-02 -0.1890000    
 C    4.368500     -3.5399999E-02  6.7400001E-02
 C   -2.089500     -3.0900000E-02  0.2684000    
 C    2.269000      0.8176000      0.5766000    
 C   -4.179100      -1.168000      0.6670000    
 C    3.596700      -1.217200     -9.9999997E-05
 C   -2.870400       1.693600      -1.234000    
 C    4.277800       2.401800      0.4979000    
 C  -0.1349000       1.316000       1.079900    
 C  -0.6942000      0.4208000      0.2393000    
 C    1.272000       1.658800      0.8935000    
 C   -5.475600      0.3074000     -0.7614000    
 C    5.735700     -0.1097000     -0.1814000    
 C   -6.615100     -0.4395000     -0.4464000    
 C    6.311700      -1.346500     -0.4916000    
 C   -5.318700      -1.919700      0.9855000    
 C    4.158900      -2.448600     -0.3072000    
 C   -6.536500      -1.534800      0.4131000    
 C   -2.559100       1.240500      -2.646500    
 C    5.529300      -2.506700     -0.5540000    
 C    4.327700       3.111000     -0.8398000    
 C  -0.8755000       1.977700       2.215200    
 C   -7.931000     -5.9000000E-02  -1.040000    
 C    7.777800      -1.431400     -0.7606000    
 H   -2.066700       2.338700     -0.8632000    
 H   -3.765400       2.323100      -1.216400    
 H    3.736400       3.038900       1.207800    
 H    5.283500       2.317600      0.9251000    
 H  -0.1936000      0.1124000     -0.6738000    
 H    1.493900       2.711800       1.052400    
 H   -5.558900       1.151400      -1.438300    
 H    6.366700      0.7730000     -0.1507000    
 H   -5.265800      -2.773100       1.653800    
 H    3.556300      -3.349600     -0.3570000    
 H   -7.428900      -2.108500      0.6535000    
 H   -3.367000      0.6241000      -3.053400    
 H   -2.431400       2.107100      -3.302400    
 H   -1.639400      0.6487000      -2.685400    
 H    5.982600      -3.464300     -0.7978000    
 H    4.802600       4.091300     -0.7331000    
 H    3.321300       3.264100      -1.243700    
 H    4.898100       2.537100      -1.577100    
 H  -0.4050000       1.721700       3.170700    
 H  -0.8474000       3.066700       2.099100    
 H   -1.927500       1.686600       2.277200    
 H   -8.417800      0.6990000     -0.4184000    
 H   -7.804900      0.3421000      -2.051500    
 H   -8.596600     -0.9252000      -1.120500    
 H    8.332300     -0.7140000     -0.1461000    
 H    8.169000      -2.426200     -0.5218000    
 H    7.978300      -1.221000      -1.815800    


%chk=000089330-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089330

1 1
S -3.432918 1.765760 1.622837
S 1.738742 0.071183 -1.111864
N -3.066101 0.170983 -0.453948
N 3.623102 0.733558 0.617437
C -4.476681 0.288878 -0.345650
C 4.332742 0.200165 -0.489510
C -2.324201 0.845897 0.508761
C 2.240218 0.792601 0.483044
C -4.874848 1.132426 0.719680
C 3.480805 -0.234583 -1.533712
C -2.441655 -0.648283 -1.528261
C 4.338300 1.227668 1.825955
C -0.044348 1.462617 1.493074
C -0.916414 0.802353 0.586865
C 1.377888 1.376706 1.431821
C -5.451702 -0.323399 -1.166832
C 5.734882 0.069494 -0.621562
C -6.822344 -0.077084 -0.919349
C 6.272658 -0.508256 -1.795333
C -6.229470 1.393660 0.983297
C 3.990165 -0.810740 -2.708157
C -7.193889 0.784086 0.154532
C -2.200343 -2.109313 -1.099055
C 5.389617 -0.944067 -2.826075
C 4.725885 2.716278 1.720242
C -0.594359 2.317956 2.623224
C -7.893622 -0.724930 -1.775333
C 7.771661 -0.663320 -1.966059
H -1.502352 -0.159077 -1.836095
H -3.112385 -0.602758 -2.402228
H 3.700606 1.039674 2.705510
H 5.234230 0.597393 1.953968
H -0.456164 0.127726 -0.138917
H 1.893819 1.881838 2.254476
H -5.166179 -0.990912 -1.985278
H 6.411704 0.414975 0.165540
H -6.533686 2.048938 1.804452
H 3.329058 -1.146430 -3.512228
H -8.256105 0.974338 0.342341
H -3.146006 -2.603684 -0.818297
H -1.754481 -2.674259 -1.936332
H -1.512391 -2.171718 -0.238484
H 5.808641 -1.390253 -3.734409
H 5.259444 3.027283 2.635328
H 3.836940 3.360141 1.605040
H 5.391097 2.896315 0.858466
H -1.277481 1.743409 3.276729
H 0.213484 2.717210 3.256773
H -1.163580 3.183771 2.233421
H -8.579683 0.032570 -2.195478
H -7.463447 -1.293563 -2.616519
H -8.509487 -1.422880 -1.178260
H 8.328778 -0.279091 -1.095624
H 8.048064 -1.725204 -2.100202
H 8.128393 -0.120847 -2.860660


