%chk=000176265.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176265

0 1
 S   0.6004000       1.833800       1.530100    
 N  -0.9884000     -0.8293000     -0.1258000    
 C   0.4197000     -0.4335000     -0.1370000    
 C    1.177600      -1.121400       1.061600    
 C    1.009000     -0.9785000      -1.470600    
 C    2.701300     -0.9186000      0.9364000    
 C    2.532700     -0.8478000      -1.580500    
 C    3.258900      -1.443900     -0.3823000    
 C   -1.632700     -0.4014000       1.123800    
 C   -1.685800     -0.2813000      -1.297700    
 C   0.4561000       1.124800     -1.5300000E-02
 C   0.8603000      -2.621400       1.227500    
 C   -3.093800     -0.8505000       1.173100    
 C   -3.148700     -0.7266000      -1.327600    
 C   -3.869900     -0.3480000     -3.9000001E-02
 C   0.3848000       2.052500      -1.020700    
 C   0.4501000       3.382600     -0.5141000    
 C   0.5685000       3.408400      0.8581000    
 H   0.9061000     -0.6919000       2.031100    
 H   0.6333000     -0.4509000      -2.352800    
 H   0.7483000      -2.037000      -1.604800    
 H    3.213100      -1.422400       1.765800    
 H    2.959100      0.1422000       1.027700    
 H    2.802000      0.2116000      -1.671200    
 H    2.878100      -1.336500      -2.499000    
 H    3.182600      -2.536800     -0.4140000    
 H    4.327300      -1.207500     -0.4481000    
 H   -1.697900      0.6840000       1.223500    
 H   -1.163600     -0.8076000       2.022900    
 H   -1.284800     -0.6414000      -2.247300    
 H   -1.715200      0.8102000      -1.325300    
 H    1.459000      -3.048200       2.040400    
 H  -0.1876000      -2.798900       1.484600    
 H    1.079900      -3.197500      0.3244000    
 H   -3.567000     -0.4819000       2.090700    
 H   -3.139800      -1.946500       1.208600    
 H   -3.199500      -1.814100      -1.467700    
 H   -3.660600     -0.2712000      -2.183300    
 H   -4.882000     -0.7670000     -3.7599999E-02
 H   -3.972500      0.7427000      1.6899999E-02
 H   0.3014000       1.819400      -2.074000    
 H   0.4147000       4.275100      -1.125200    
 H   0.6383000       4.276600       1.498100    


%chk=000176265-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176265

0 1
S 0.724273 2.014500 1.579409
N -1.056254 -0.681984 -0.108222
C 0.435700 -0.360183 -0.132126
C 1.154858 -1.118601 1.054443
C 1.038881 -0.888576 -1.475667
C 2.701098 -0.964668 0.960249
C 2.580439 -0.782457 -1.557737
C 3.274852 -1.487883 -0.374084
C -1.764827 -0.352965 1.161148
C -1.852305 -0.186846 -1.265121
C 0.649637 1.157663 -0.034832
C 0.745748 -2.607846 1.159211
C -3.144429 -1.045219 1.213371
C -3.246053 -0.854893 -1.299690
C -4.016934 -0.611953 0.015684
C 0.667542 2.105377 -1.052919
C 0.749607 3.476848 -0.611983
C 0.788810 3.611936 0.764723
H 0.855707 -0.630731 2.005605
H 0.612436 -0.347079 -2.338036
H 0.721293 -1.943309 -1.579440
H 3.158533 -1.502906 1.813771
H 2.972968 0.102826 1.073544
H 2.873603 0.285684 -1.566535
H 2.917990 -1.216339 -2.519401
H 3.128579 -2.583507 -0.451005
H 4.367236 -1.311137 -0.410639
H -1.910324 0.749774 1.273905
H -1.159513 -0.687978 2.018988
H -1.327791 -0.425961 -2.203860
H -1.977803 0.924769 -1.225455
H 1.237016 -3.066136 2.038560
H -0.345182 -2.722548 1.263830
H 1.047524 -3.187370 0.269564
H -3.640130 -0.793412 2.171262
H -2.997520 -2.143120 1.189285
H -3.113747 -1.943516 -1.454937
H -3.813158 -0.458811 -2.164905
H -4.979202 -1.158487 0.011891
H -4.256409 0.467739 0.108628
H 0.635741 1.830707 -2.110341
H 0.781281 4.328687 -1.296069
H 0.853031 4.514309 1.370337


