%chk=000171069.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171069

0 1
 S    4.635900      -2.530200     -0.6018000    
 P    3.536200     -0.9312000     -0.5601000    
 P    3.507200       1.757000      0.6703000    
 O  -0.5528000      -1.512700       1.032900    
 O   -3.294700      -3.117900     -0.6482000    
 O   -1.325700      -4.440900      0.6778000    
 O    2.038800      -1.145000      2.7400000E-02
 O    4.125500      0.3155000      0.2892000    
 O    3.272900     -0.2554000      -2.012100    
 O    2.280800       1.406300       1.663900    
 O    4.612200       2.384900       1.670500    
 O    3.143400       2.637700     -0.4885000    
 N   -2.496400     -0.2602000      0.5004000    
 N   -3.973300       1.412200      0.5054000    
 N  -0.5663000      0.8943000     -0.4185000    
 N   -1.075000       3.232700     -0.8971000    
 N   -3.228800       4.189900     -0.4823000    
 C   -2.033800      -2.490200     -0.5356000    
 C  -0.9044000      -3.468300     -0.2785000    
 C   -1.950600      -1.601300      0.6960000    
 C   0.1573000      -2.578400      0.3603000    
 C    1.102300      -1.957100     -0.6587000    
 C   -1.839900      0.8285000     -2.0000001E-03
 C   -3.774700      0.1420000      0.7894000    
 C   -2.772000       1.853800      9.9999998E-03
 C   -2.349800       3.093400     -0.4599000    
 C  -0.2743000       2.140600     -0.8499000    
 H   -1.842700      -1.920000      -1.452100    
 H  -0.5779000      -4.000700      -1.176200    
 H   -2.478400      -2.031400       1.556500    
 H   0.7340000      -3.104800       1.129200    
 H   0.5704000      -1.321700      -1.372100    
 H    1.616600      -2.742500      -1.220600    
 H   -3.431100      -3.663100      0.1453000    
 H  -0.5660000      -5.021800      0.8543000    
 H   -4.512900     -0.5323000       1.201700    
 H   0.7285000       2.282200      -1.231500    
 H   -4.180300       4.088600     -0.1559000    
 H   -2.898100       5.080700     -0.8276000    
 H    2.719900      0.5533000      -2.062400    
 H    1.443000       1.066300       1.283900    
 H    5.425900       2.779700       1.290800    


%chk=000171069-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171069

0 1
S 3.540697 -3.897868 0.087746
P 3.569927 -1.935259 -0.580557
P 3.070856 0.892050 0.646936
O -0.390798 -0.879366 -0.840773
O -2.446181 -2.917086 1.417792
O -0.184583 -4.018693 0.840782
O 2.497423 -1.614043 -1.928929
O 2.883199 -0.884383 0.665744
O 4.971469 -1.168768 -1.064909
O 1.664299 1.594684 0.379861
O 3.394823 1.193539 2.306813
O 4.364745 1.147392 -0.297496
N -2.247814 0.122014 0.222650
N -4.242788 1.253934 0.120170
N -0.728942 2.117452 -0.004108
N -1.919344 4.211153 -0.251485
N -4.272886 4.310063 -0.261195
C -1.882738 -2.411074 0.193374
C -0.635213 -3.227926 -0.306133
C -1.289834 -0.975136 0.317913
C 0.399271 -2.134937 -0.695025
C 1.232735 -2.379157 -1.947639
C -1.930175 1.463489 0.062375
C -3.659369 0.053483 0.256964
C -3.168824 2.149819 -0.009519
C -3.142000 3.565682 -0.177316
C -0.793750 3.483013 -0.156204
H -2.665939 -2.416180 -0.585021
H -0.898507 -3.896971 -1.145205
H -0.712361 -0.883966 1.263404
H 1.056821 -1.993756 0.187456
H 0.715367 -2.021689 -2.851895
H 1.465679 -3.457734 -2.041613
H -1.745288 -3.504151 1.827143
H 0.797771 -4.182739 0.799168
H -4.179784 -0.885886 0.424839
H 0.169429 3.995884 -0.196528
H -5.185312 3.858681 -0.203422
H -4.196599 5.320455 -0.374029
H 4.894575 -0.103557 -0.863267
H 0.294439 1.690157 0.117913
H 4.286405 0.879879 2.606825


