%chk=000178343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178343

0 1
 S   -3.265400      -3.726200     -0.7651000    
 O    4.320300      0.6205000     -0.5659000    
 N  -0.6028000     -8.7700002E-02  1.9400001E-02
 C    1.342700      -1.418800      4.8099998E-02
 C  -9.1300003E-02  -1.333800     -9.5100001E-02
 C    4.100900       1.863000      0.1002000    
 C    3.535300     -0.4278000     -0.1956000    
 C    2.149700     -0.3449000     -0.3327000    
 C   -1.942600      2.2100000E-02 -0.1107000    
 C  -0.8534000      -2.466400     -0.3320000    
 C    1.927100      -2.576200      0.5667000    
 C   -2.456900       1.368500      1.7200001E-02
 C   -2.229000      -2.310000     -0.4597000    
 C   -2.792600      -1.043800     -0.3481000    
 C    4.116800      -1.585000      0.3226000    
 C    3.312700      -2.659200      0.7037000    
 C    5.368800       2.266600      0.8374000    
 C    3.680200       2.910600     -0.9193000    
 C   -3.740800       1.579900      0.5200000    
 C   -1.668900       2.455000     -0.3620000    
 C   -4.236500       2.877900      0.6435000    
 C   -2.164600       3.752900     -0.2386000    
 C   -3.448400       3.964300      0.2642000    
 C   -4.361600      -3.701500      0.6818000    
 H    3.303300       1.776100      0.8507000    
 H    1.713000      0.5548000     -0.7592000    
 H  -0.4119000      -3.451800     -0.4455000    
 H    1.338600      -3.426000      0.9021000    
 H   -3.861800     -0.9139000     -0.4814000    
 H    5.195500      -1.654500      0.4337000    
 H    3.765600      -3.557500       1.113300    
 H    6.211600       2.359200      0.1435000    
 H    5.646300       1.499700       1.568600    
 H    5.240100       3.218300       1.361900    
 H    4.447400       3.031900      -1.692100    
 H    2.762700       2.609100      -1.434500    
 H    3.507500       3.881000     -0.4439000    
 H   -4.378500      0.7659000      0.8538000    
 H  -0.6684000       2.325200     -0.7678000    
 H   -5.233700       3.043500       1.040900    
 H   -1.552000       4.599100     -0.5358000    
 H   -3.833900       4.975000      0.3613000    
 H   -5.000500      -4.588300      0.6615000    
 H   -4.999600      -2.814200      0.6694000    
 H   -3.774200      -3.714600       1.603900    


%chk=000178343-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178343

0 1
S -3.134377 -4.026667 0.474481
O 4.569365 0.657688 0.268859
N -0.484764 -0.232104 -0.000795
C 1.547291 -1.582033 -0.048580
C 0.059028 -1.491738 0.051566
C 3.976468 1.998090 0.548100
C 3.721518 -0.441246 0.065864
C 2.311275 -0.400843 0.147642
C -1.841223 -0.084391 0.088992
C -0.751237 -2.643696 0.214636
C 2.211276 -2.801893 -0.339550
C -2.365508 1.313348 0.021834
C -2.156593 -2.494444 0.290296
C -2.713921 -1.199659 0.218795
C 4.382613 -1.663918 -0.221024
C 3.621799 -2.831013 -0.423520
C 5.111553 2.802699 1.189243
C 3.451765 2.630855 -0.753303
C -3.659680 1.656828 0.498815
C -1.551636 2.340022 -0.529580
C -4.129984 2.985008 0.417288
C -2.022535 3.666250 -0.614437
C -3.315577 3.996074 -0.143401
C -4.893603 -3.383168 0.593258
H 3.150828 1.869635 1.277991
H 1.757291 0.517282 0.356450
H -0.299345 -3.635486 0.300219
H 1.645166 -3.718998 -0.529091
H -3.794593 -1.045945 0.237184
H 5.475344 -1.671941 -0.277782
H 4.132897 -3.772145 -0.654471
H 5.960223 2.892390 0.488493
H 5.469785 2.305806 2.106742
H 4.761331 3.817799 1.449920
H 4.282350 2.765411 -1.468619
H 2.680733 2.003207 -1.231741
H 3.008425 3.621428 -0.541713
H -4.297277 0.896660 0.963926
H -0.553644 2.067817 -0.886285
H -5.127253 3.232852 0.797840
H -1.384585 4.443284 -1.050627
H -3.682087 5.026648 -0.208459
H -5.518737 -4.278627 0.731213
H -5.186894 -2.870762 -0.335991
H -5.006472 -2.718367 1.463723


