%chk=000151617.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151617

0 1
 S   -2.433000       1.238200     -0.2564000    
 O   -2.020700       2.556800      0.1875000    
 O   -2.203000      0.8157000      -1.623700    
 O   0.2478000       1.649600      0.9142000    
 O    3.532000      -2.156700     -0.8971000    
 N   -1.825100      8.0700003E-02  0.8596000    
 C  -0.8845000     -0.8896000      0.3784000    
 C   0.4721000     -0.5977000      0.1927000    
 C   -1.368500      -2.166300      9.1600001E-02
 C    1.338800      -1.585600     -0.2796000    
 C   0.9756000      0.7569000      0.4987000    
 C   -4.176800       1.105900      6.9700003E-02
 C    2.409000       1.051600      0.2974000    
 C   -2.811000      -2.513700      0.2776000    
 C    3.275600      6.3800000E-02 -0.1752000    
 C  -0.5036000      -3.152200     -0.3792000    
 C    2.772200      -1.290800     -0.4812000    
 C   0.8490000      -2.865600     -0.5657000    
 C   -4.977600       2.052100     -0.8094000    
 C    2.898800       2.331500      0.5837000    
 C   -3.100000      -3.047200       1.676700    
 C    4.632100      0.3559000     -0.3619000    
 C   -6.466000       1.955300     -0.5188000    
 C    4.251200       2.618500      0.3961000    
 C    5.116000       1.632900     -7.5800002E-02
 H   -1.569400      0.4624000       1.780300    
 H   -4.330500       1.334600       1.129200    
 H   -4.490300      8.0600001E-02 -0.1263000    
 H   -3.465700      -1.675000      5.2099999E-02
 H   -3.095100      -3.282800     -0.4533000    
 H  -0.8673000      -4.151600     -0.6040000    
 H    1.503000      -3.651600     -0.9335000    
 H   -4.647300       3.085300     -0.6506000    
 H   -4.801700       1.824700      -1.867200    
 H    2.247200       3.119100      0.9526000    
 H   -2.507100      -3.942700       1.891400    
 H   -4.158300      -3.311400       1.768400    
 H   -2.869800      -2.299300       2.442800    
 H    5.326700     -0.3951000     -0.7286000    
 H   -7.023300       2.644200      -1.161200    
 H   -6.837000      0.9424000     -0.7049000    
 H   -6.680000       2.214100      0.5231000    
 H    4.630600       3.611800      0.6182000    
 H    6.168400       1.859000     -0.2211000    


%chk=000151617-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151617

0 1
S -2.832571 1.057944 -0.844496
O -2.361284 2.593715 -1.113905
O -3.007642 0.033174 -2.099739
O 0.484097 1.697467 1.094283
O 3.788910 -2.335844 -0.679525
N -1.675505 0.247891 0.556766
C -0.780723 -0.769639 0.150635
C 0.648394 -0.533188 0.149036
C -1.288834 -2.074503 -0.183443
C 1.535696 -1.580508 -0.252316
C 1.216209 0.769650 0.586004
C -4.487392 1.124407 0.150644
C 2.683051 0.997504 0.451096
C -2.757764 -2.437574 -0.047128
C 3.557296 -0.041048 0.021656
C -0.369466 -3.074749 -0.574311
C 3.018480 -1.388047 -0.320600
C 1.017131 -2.838895 -0.624053
C -5.581672 1.756736 -0.710838
C 3.213698 2.270833 0.777259
C -3.204999 -2.536809 1.437708
C 4.948732 0.202742 -0.076121
C -6.905940 1.844665 0.086302
C 4.598241 2.508862 0.670350
C 5.468406 1.472822 0.243659
H -1.125631 1.087969 0.888010
H -4.219431 1.717270 1.040357
H -4.668115 0.071495 0.418471
H -3.384772 -1.711869 -0.592683
H -2.925570 -3.412648 -0.541176
H -0.757438 -4.066840 -0.831554
H 1.721531 -3.616911 -0.933114
H -5.265745 2.767959 -1.027328
H -5.730628 1.154912 -1.626421
H 2.521967 3.051218 1.107909
H -2.625077 -3.308317 1.975427
H -4.273990 -2.812628 1.498254
H -3.058128 -1.573635 1.955759
H 5.595055 -0.616921 -0.405159
H -7.693774 2.299532 -0.539553
H -7.258006 0.844988 0.400387
H -6.790947 2.468315 0.991608
H 5.003511 3.495934 0.916533
H 6.544142 1.661267 0.162651


