%chk=000227018.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227018

0 1
 S   0.8554000       3.124600      0.6247000    
 O    1.542900       4.256000      3.2900002E-02
 O   0.5734000       3.098800       2.047200    
 O    3.450200      -3.238500       1.005500    
 N  -0.5909000       2.833200     -0.2319000    
 N   -1.274800       1.594200      9.1399997E-02
 N    4.022100      -1.712700     -0.6983000    
 N   -5.118700      -3.465200      0.5667000    
 C    1.800100       1.682500      0.2306000    
 C    1.702500      0.5684000       1.045400    
 C    2.618400       1.695800     -0.8853000    
 C    3.277300     -0.5745000     -0.3870000    
 C    2.447200     -0.5693000      0.7341000    
 C    3.362900      0.5581000      -1.196600    
 C   -3.078000      6.4800002E-02 -0.2839000    
 C   -2.349400       1.327700     -0.5880000    
 C   -3.771900     -0.5599000      -1.297000    
 C   -3.033200     -0.4336000      0.9997000    
 C   -2.901200       2.224200      -1.677600    
 C   -4.427800      -2.269900      0.2785000    
 C   -4.455600      -1.741900      -1.012300    
 C   -3.716500      -1.615700       1.284400    
 C    4.066000      -2.932500     -1.0400000E-02
 C    4.999500      -3.914600     -0.6728000    
 H    1.057100      0.5521000       1.918400    
 H    2.692400       2.564300      -1.532300    
 H    2.327700      -1.407200       1.406600    
 H    4.004300      0.5674000      -2.074300    
 H  -0.6552000       3.170600      -1.199600    
 H   -3.788800     -0.1876000      -2.316100    
 H   -2.492300      6.4900003E-02   1.798500    
 H    4.603100      -1.637200      -1.530900    
 H   -2.861500       3.270900      -1.361300    
 H   -3.950400       2.011200      -1.896300    
 H   -2.307500       2.097400      -2.587200    
 H   -5.001200      -2.245900      -1.806000    
 H   -3.688700      -2.016300       2.294600    
 H   -5.635200      -3.939600     -0.1620000    
 H   -5.099400      -3.848100       1.502600    
 H    6.007800      -3.494000     -0.7207000    
 H    5.030200      -4.843400     -9.6500002E-02
 H    4.646500      -4.134900      -1.684200    


%chk=000227018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227018

0 1
S 0.961457 3.457810 0.482153
O 1.592676 4.512574 -0.594636
O 0.950734 3.746689 2.073860
O 3.064477 -3.201806 1.471268
N -0.922494 3.302416 -0.112576
N -1.357078 2.000544 -0.020396
N 3.573345 -1.959562 -0.456944
N -4.041054 -3.869144 0.074879
C 1.742601 1.768533 0.209282
C 1.657240 0.809841 1.231552
C 2.409017 1.537734 -1.005637
C 2.940004 -0.717385 -0.185696
C 2.261330 -0.448540 1.036538
C 3.015792 0.283450 -1.195847
C -2.898188 0.212442 -0.458523
C -2.475229 1.618939 -0.631579
C -4.033850 -0.330402 -1.123172
C -2.154886 -0.667074 0.386938
C -3.279826 2.613130 -1.452760
C -3.669904 -2.538358 -0.103848
C -4.415540 -1.674066 -0.955567
C -2.525026 -2.004782 0.565202
C 3.621084 -3.111951 0.339468
C 4.416654 -4.266127 -0.264877
H 1.145100 1.049050 2.168488
H 2.473714 2.326341 -1.762186
H 2.216785 -1.221953 1.804623
H 3.551700 0.079971 -2.131298
H -0.874136 3.734415 -1.065416
H -4.634342 0.293274 -1.793679
H -1.277324 -0.267685 0.903694
H 4.053581 -2.017688 -1.357695
H -3.314752 3.585536 -0.925643
H -4.313432 2.280744 -1.624656
H -2.815405 2.789387 -2.444917
H -5.295710 -2.059869 -1.484459
H -1.933701 -2.651244 1.225570
H -4.863361 -4.248701 -0.385217
H -3.513960 -4.476699 0.695506
H 4.757809 -4.085522 -1.299121
H 5.299231 -4.463666 0.368585
H 3.793667 -5.175996 -0.247961


