%chk=000166544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166544

0 1
 S    4.632000     -0.2601000      6.9399998E-02
 O   -2.744200      -1.308500      -1.272200    
 O   -3.831400     -0.1630000       1.013600    
 O   -1.631900      -2.881400      5.7500001E-02
 O   -4.881100       1.419800     -0.3548000    
 N    2.994800       3.334300     -0.8758000    
 C    1.208700       1.585300     -0.9810000    
 C    1.606000       3.008000     -0.4892000    
 C    1.374300       3.166800       1.023500    
 C  -0.1286000       1.134600     -0.4267000    
 C    2.274300      0.5714000     -0.5985000    
 C  -9.1200002E-02   2.941900       1.376100    
 C  -0.7047000       1.737600      0.7086000    
 C    3.558400       1.005200     -0.3051000    
 C    3.992700       2.437300     -0.2677000    
 C    2.215200     -0.8596000     -0.5500000    
 C  -0.8529000      0.1265000      -1.091700    
 C    3.416700      -1.431500     -0.1894000    
 C   -1.949000       1.284100       1.180600    
 C   -2.084200     -0.3179000     -0.6105000    
 C   -2.627900      0.2545000      0.5326000    
 C    3.738700      -2.865200     -2.3200000E-02
 C    3.491100      -3.363200       1.414000    
 C    3.787000      -4.846000       1.573800    
 C   -2.424500      -2.603200     -0.8326000    
 C   -4.933000      0.5205000      0.4738000    
 C   -3.199400      -3.618200      -1.619500    
 C   -6.205800     -9.8999999E-03   1.064200    
 H    1.148500       1.611800      -2.078600    
 H   0.9562000       3.730600      -1.001800    
 H    1.673700       4.168900       1.354700    
 H    1.979900       2.454800       1.597300    
 H  -0.6695000       3.824100       1.072600    
 H  -0.1807000       2.850600       2.465400    
 H    3.208600       4.296100     -0.6133000    
 H    4.179900       2.738700      0.7700000    
 H    4.934000       2.559900     -0.8152000    
 H    1.340400      -1.458000     -0.7660000    
 H  -0.4483000     -0.3202000      -1.998200    
 H   -2.398800       1.754200       2.053000    
 H    3.122800      -3.455000     -0.7146000    
 H    4.780400      -3.066600     -0.3042000    
 H    4.114300      -2.797100       2.117100    
 H    2.447700      -3.175200       1.696300    
 H    3.151800      -5.444700      0.9133000    
 H    4.832900      -5.063600       1.335300    
 H    3.599800      -5.161900       2.604700    
 H   -4.270500      -3.455100      -1.477400    
 H   -2.948400      -4.621700      -1.264100    
 H   -2.935000      -3.545100      -2.677300    
 H   -6.305400      -1.072800      0.8309000    
 H   -7.056700      0.5242000      0.6319000    
 H   -6.205300      0.1492000       2.145300    


%chk=000166544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166544

0 1
S 4.647077 -0.425263 0.090924
O -2.900893 -1.219503 -1.119471
O -3.924280 0.038614 1.174140
O -1.095451 -2.733122 -1.127783
O -5.198318 0.858093 -0.623140
N 3.073126 3.262215 -0.968179
C 1.219925 1.628513 -0.941376
C 1.685493 3.042865 -0.494698
C 1.464526 3.220715 1.034086
C -0.170080 1.285639 -0.400789
C 2.280736 0.587931 -0.548748
C -0.038574 3.142384 1.375939
C -0.736602 1.956111 0.719975
C 3.590675 0.977912 -0.326062
C 4.110706 2.390812 -0.365088
C 2.082560 -0.842056 -0.400329
C -0.899652 0.246948 -1.026845
C 3.220738 -1.551793 -0.061800
C -2.005485 1.546695 1.198162
C -2.141473 -0.169416 -0.523248
C -2.700843 0.488633 0.594180
C 3.389142 -3.027776 0.183818
C 3.808730 -3.390674 1.635867
C 3.948781 -4.914312 1.836281
C -2.285124 -2.473948 -1.388195
C -5.137089 0.231565 0.446620
C -3.305056 -3.395514 -2.013795
C -6.269419 -0.426947 1.199531
H 1.165796 1.642495 -2.049087
H 1.055322 3.788640 -1.020631
H 1.868564 4.200393 1.356265
H 2.019275 2.434522 1.580133
H -0.534556 4.074292 1.030640
H -0.184724 3.106023 2.472433
H 3.340999 4.253563 -0.945409
H 4.406810 2.701284 0.668870
H 5.024030 2.454785 -0.988453
H 1.119872 -1.344702 -0.525098
H -0.484905 -0.250168 -1.908406
H -2.463704 2.048519 2.057504
H 2.423576 -3.518672 -0.047501
H 4.135594 -3.456768 -0.516493
H 4.768311 -2.890679 1.874193
H 3.058118 -2.980337 2.338409
H 2.993033 -5.431940 1.630094
H 4.712875 -5.336506 1.156132
H 4.247627 -5.156784 2.872404
H -4.129825 -3.579871 -1.303310
H -2.829290 -4.348628 -2.284577
H -3.745670 -2.922561 -2.907800
H -6.116050 -1.520172 1.222460
H -7.225832 -0.198083 0.708400
H -6.286725 -0.077767 2.245755


