%chk=000178682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178682

0 1
 S   -3.758200      0.7140000      0.5281000    
 S   -2.175600       3.242900     -0.3074000    
 S   -3.525200      -2.260600      0.9309000    
 S   0.6010000       4.329100     -0.7255000    
 N   -1.428600     -0.4673000      0.3607000    
 N  -9.7499996E-02   1.658400     -0.1637000    
 C   -1.238100      0.8935000      0.1010000    
 C  -0.4513000      -1.488200      0.1695000    
 C   -2.369100       1.603200      0.1071000    
 C    1.248200       1.221700      1.5799999E-02
 C   -2.787600     -0.7856000      0.6417000    
 C  -0.3468000      -2.159400      -1.048700    
 C  -0.4041000       3.021800     -0.4355000    
 C   0.4076000      -1.811700       1.219800    
 C   0.6165000      -3.154100      -1.216700    
 C    1.917700      0.5933000      -1.030700    
 C    1.885400       1.427300       1.236400    
 C   -1.253700      -1.833900      -2.191000    
 C    1.371100      -2.806400       1.052000    
 C    1.475400      -3.477600     -0.1663000    
 C    3.234300      0.1672000     -0.8554000    
 C    3.202000       1.001300       1.411800    
 C    3.876400      0.3712000      0.3659000    
 H   0.3335000      -1.299000       2.175500    
 H   0.7104000      -3.687700      -2.158800    
 H    1.428300      0.4336000      -1.987900    
 H    1.368700       1.913800       2.059500    
 H   -2.255300      -2.238000      -2.022300    
 H   -1.318200     -0.7538000      -2.355300    
 H  -0.8815000      -2.263900      -3.128000    
 H    2.040000      -3.057800       1.869700    
 H    2.225900      -4.251700     -0.2969000    
 H    3.759100     -0.3237000      -1.669700    
 H    3.701600       1.158800       2.363200    
 H    4.901100      3.8500000E-02  0.5029000    


%chk=000178682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178682

0 1
S -3.934354 0.638056 0.402200
S -2.196344 3.419888 -0.076396
S -3.428649 -2.427577 0.696361
S 0.774547 4.302097 -0.438771
N -1.502898 -0.456485 0.290539
N -0.152541 1.702465 -0.045878
C -1.325667 0.935409 0.129415
C -0.456703 -1.470417 0.204798
C -2.491504 1.668300 0.150658
C 1.215706 1.199564 -0.002319
C -2.840723 -0.865627 0.468473
C -0.251498 -2.144260 -1.028796
C -0.367844 3.090467 -0.195052
C 0.265137 -1.800595 1.369072
C 0.735092 -3.160236 -1.053476
C 1.813627 0.686505 -1.171217
C 1.941010 1.311522 1.203131
C -1.071661 -1.814691 -2.259051
C 1.243540 -2.815379 1.318075
C 1.476750 -3.495425 0.101430
C 3.156307 0.251863 -1.122765
C 3.283807 0.879941 1.242495
C 3.891028 0.346651 0.081422
H 0.048745 -1.273839 2.304060
H 0.914083 -3.699676 -1.990716
H 1.242259 0.642986 -2.104008
H 1.463383 1.747689 2.086244
H -2.122120 -2.133706 -2.120821
H -1.091142 -0.729397 -2.470694
H -0.673981 -2.330438 -3.148936
H 1.808794 -3.076443 2.218492
H 2.229202 -4.290246 0.053496
H 3.627806 -0.151856 -2.024807
H 3.855600 0.966851 2.172364
H 4.934606 0.015237 0.112682


