%chk=000002239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002239

0 1
 S    1.984900      -1.902200     -0.6516000    
 S  -0.1654000      -3.610300      0.6451000    
 S   -3.032800      0.7597000     -0.3224000    
 O    3.523100     -0.4366000      -3.016400    
 O   -4.829500       3.134300     -0.7628000    
 N    4.042600       1.226400      0.2451000    
 N  -0.5656000      -1.206400     -0.2173000    
 N   -6.724800       2.239500      0.1077000    
 C    5.212800       1.287100       1.127200    
 C    4.336700      0.4391000     -0.9403000    
 C    3.137700      0.3552000      -1.890900    
 C    6.380600       1.940400      0.3788000    
 C    5.585700     -0.1401000       1.542000    
 C    4.850000       2.116300       2.363600    
 C    1.838000     -0.2062000      -1.298100    
 C   0.3304000      -2.148700     -8.6800002E-02
 C   -1.758600      -1.667200      0.3046000    
 C   -2.973700     -0.8321000      0.3079000    
 C   -1.737600      -2.947100      0.8177000    
 C   -4.191900      -1.232100      0.8131000    
 C   -4.689900      0.9164000      8.0100000E-02
 C   -5.185600     -0.2196000      0.6812000    
 C   -5.367300       2.134300     -0.2275000    
 H    3.761300       2.167600     -2.8600000E-02
 H    5.152300      0.8690000      -1.532100    
 H    4.636300     -0.5877000     -0.7114000    
 H    2.928500       1.362200      -2.274400    
 H    6.081800       2.881300     -9.8499998E-02
 H    7.188400       2.184300       1.080200    
 H    6.831700       1.293500     -0.3808000    
 H    6.082600     -0.7130000      0.7522000    
 H    4.711400     -0.7053000       1.886900    
 H    6.294700     -0.1155000       2.379400    
 H    4.007000       1.673500       2.907100    
 H    5.694200       2.180300       3.059700    
 H    4.569900       3.140400       2.090300    
 H    1.074500     -0.2202000      -2.084800    
 H    1.486000      0.4531000     -0.4974000    
 H    2.780000     -0.4378000      -3.643700    
 H   -2.524800      -3.529300       1.275000    
 H   -4.394000      -2.196300       1.261700    
 H   -6.206700     -0.3427000       1.018000    
 H   -7.237000       3.093100     -8.9299999E-02
 H   -7.248600       1.492100      0.5498000    


%chk=000002239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002239

0 1
S 2.536434 -2.432770 -1.847349
S 0.538358 -4.181136 -0.177740
S -1.654406 0.714051 0.121265
O 4.708192 -0.808691 -3.296674
O -2.878231 3.467377 0.351778
N 3.443629 1.355946 -0.549457
N 0.184576 -1.568391 -0.600693
N -4.781377 2.909409 1.560589
C 3.476062 1.436616 0.948518
C 4.312444 0.380310 -1.236525
C 3.707145 0.030098 -2.610955
C 4.909950 1.714881 1.491827
C 2.927716 0.118893 1.550930
C 2.533509 2.602323 1.335672
C 2.338410 -0.650770 -2.511646
C 1.020737 -2.542652 -0.889102
C -0.898470 -1.993704 0.200615
C -1.893371 -1.009578 0.600742
C -0.881632 -3.345334 0.533680
C -3.067547 -1.177721 1.340317
C -3.188647 1.156030 0.961281
C -3.792246 0.038685 1.541595
C -3.588194 2.582295 0.927968
H 3.537173 2.297243 -0.957339
H 5.355086 0.727059 -1.411269
H 4.372165 -0.545380 -0.639255
H 3.547669 0.976243 -3.179236
H 5.297859 2.676804 1.104607
H 4.912391 1.765206 2.596720
H 5.610662 0.914534 1.189341
H 3.593043 -0.740323 1.348315
H 1.933825 -0.105055 1.126322
H 2.835236 0.214505 2.648188
H 1.509430 2.406126 0.972515
H 2.501447 2.729878 2.432384
H 2.880660 3.558339 0.896033
H 1.833377 -0.735334 -3.488742
H 1.700886 -0.109332 -1.793679
H 4.393103 -1.018113 -4.212543
H -1.584517 -3.907527 1.143880
H -3.401014 -2.144953 1.724604
H -4.731486 0.074064 2.101686
H -5.065791 3.887668 1.547259
H -5.374944 2.224878 2.022871


