%chk=000178587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178587

0 1
 S  -0.3381000      -1.994300     -0.5872000    
 P   4.0600002E-02 -0.4703000      0.8003000    
 O   0.8109000      -2.911200     -0.2877000    
 N    1.443400      0.1843000      0.1027000    
 N   -1.222700      0.5919000      0.4014000    
 C    2.699000     -0.5417000      0.2940000    
 C    1.755500       1.579300      0.4143000    
 C   -1.494500      0.8016000      -1.020800    
 C   -2.530700      0.3502000       1.010400    
 C    3.738600      0.3918000     -0.3073000    
 C    3.136800       1.786000     -0.1918000    
 C   -2.772900       1.628400      -1.027600    
 C   -3.431200       1.363200      0.3199000    
 C   -1.834700      -2.759200      7.9400003E-02
 H    2.743700      -1.506600     -0.2167000    
 H    2.917000     -0.7016000       1.358600    
 H    1.803600       1.751500       1.498200    
 H    1.041500       2.290800     -1.4300000E-02
 H   -1.718800     -0.1023000      -1.595000    
 H  -0.6916000       1.340200      -1.536600    
 H   -2.517100      0.5273000       2.092200    
 H   -2.939200     -0.6448000      0.8451000    
 H    3.911200      0.1509000      -1.363000    
 H    4.697800      0.3181000      0.2148000    
 H    3.752300       2.440800      0.4337000    
 H    3.063400       2.242500      -1.185800    
 H   -3.429400       1.347500      -1.857900    
 H   -2.546700       2.696500      -1.126400    
 H   -3.481100       2.294000      0.8973000    
 H   -4.452300      0.9854000      0.2055000    
 H   -1.865300      -2.707300       1.169800    
 H   -1.828700      -3.813000     -0.2144000    
 H   -2.714500      -2.298600     -0.3727000    


%chk=000178587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178587

0 1
S -0.505512 -1.936562 -1.256283
P -0.574445 -0.384430 1.056513
O 1.122046 -1.583226 -1.597943
N 1.063812 0.081693 0.717624
N -1.531288 0.949249 0.428791
C 2.194042 -0.794010 1.158533
C 1.548206 1.202990 -0.138097
C -1.568378 1.465695 -0.971652
C -2.788758 1.306813 1.162479
C 3.374343 -0.338964 0.272696
C 3.083202 1.166556 0.048827
C -3.061165 1.792306 -1.204854
C -3.528509 2.264454 0.194947
C -0.445129 -3.632298 -0.362786
H 1.961233 -1.859329 0.997640
H 2.404441 -0.623213 2.235935
H 1.097422 2.157181 0.192523
H 1.280741 1.011370 -1.192982
H -1.179899 0.710052 -1.677012
H -0.950082 2.380211 -1.076388
H -2.560430 1.788651 2.130778
H -3.404562 0.405362 1.367316
H 3.318649 -0.880522 -0.686398
H 4.351752 -0.524390 0.750692
H 3.379383 1.756571 0.936920
H 3.609857 1.575885 -0.830063
H -3.607846 0.879038 -1.504308
H -3.206502 2.557044 -1.987131
H -3.204621 3.306817 0.370043
H -4.623114 2.218987 0.325040
H 0.241582 -3.560356 0.492778
H -0.079632 -4.367761 -1.095271
H -1.465041 -3.880561 -0.026509


