%chk=000148802.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148802

0 1
 S   -4.882600      -1.710900      4.8200000E-02
 O   -6.018700      -2.033600     -0.7950000    
 O   -4.945700      -1.973200       1.473200    
 N    1.566600     -0.7463000       1.256500    
 N    4.851300       1.011700     -0.6642000    
 N   -3.465800      -2.426400     -0.6215000    
 N   -3.784200       4.086900     -0.6835000    
 C    2.680600     -0.1502000      0.6052000    
 C    3.677600     -0.9618000      5.4600000E-02
 C    2.769900       1.243000      0.5203000    
 C    4.760300     -0.3297000     -0.5797000    
 C    3.888000       1.788800     -0.1323000    
 C   0.3137000      -1.164100      0.7890000    
 C    3.613400      -2.364300      0.1251000    
 C    1.782400       2.082600       1.064500    
 C   -2.189100      -2.000700     -0.1450000    
 C    5.756300      -1.132300      -1.129900    
 C    3.982700       3.175200     -0.2200000    
 C  -0.6151000      -1.733000       1.668100    
 C  -2.1800000E-02  -1.017700     -0.5620000    
 C   -1.862100      -2.150000       1.202700    
 C   -1.269000      -1.434400      -1.027300    
 C   -4.556400      1.5000000E-02 -0.1696000    
 C    4.622100      -3.144000     -0.4329000    
 C    1.900700       3.465600      0.9633000    
 C    5.695600      -2.526400      -1.061600    
 C    3.003300       4.012600      0.3197000    
 C   -4.963200      0.6352000      -1.336900    
 C   -3.899900      0.7079000      0.8313000    
 C   -4.704800       1.995100      -1.509000    
 C   -3.641700       2.067900      0.6592000    
 C   -4.044300       2.711500     -0.5109000    
 H    1.723100     -0.8880000       2.250100    
 H    2.790500      -2.879800      0.6137000    
 H   0.9094000       1.688300       1.578100    
 H    6.607800     -0.6720000      -1.627800    
 H    4.837300       3.628100     -0.7195000    
 H  -0.3721000      -1.861300       2.720200    
 H   0.6746000     -0.5794000      -1.272100    
 H   -3.503300      -2.639500      -1.626900    
 H   -2.547800      -2.613300       1.905200    
 H   -1.513900      -1.311100      -2.079100    
 H    4.570800      -4.226900     -0.3761000    
 H    1.137200       4.111900       1.385100    
 H    6.488300      -3.125500      -1.500000    
 H    3.105400       5.090600      0.2353000    
 H   -5.470900      9.3599997E-02  -2.128800    
 H   -3.584500      0.2298000       1.753000    
 H   -5.021800       2.485100      -2.426200    
 H   -3.127000       2.615200       1.444800    
 H   -3.302300       4.605500      3.8699999E-02
 H   -4.073200       4.554000      -1.532700    


%chk=000148802-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148802

0 1
S -4.875996 -1.691604 0.507108
O -6.154931 -2.498446 -0.098994
O -4.650994 -1.443881 2.103102
N 1.692818 -0.505541 1.578896
N 5.079851 1.081048 -0.561847
N -3.236042 -2.797791 -0.063472
N -4.638340 3.725221 -2.220809
C 2.781863 0.001193 0.828265
C 3.441637 -0.768654 -0.184894
C 3.289029 1.302356 1.155579
C 4.575616 -0.155409 -0.873852
C 4.467711 1.783681 0.442656
C 0.484459 -1.069579 1.113099
C 3.092287 -2.125110 -0.514647
C 2.679665 2.163576 2.134292
C -2.013494 -2.185191 0.290623
C 5.240939 -0.895246 -1.914918
C 5.013426 3.070151 0.787757
C -0.392133 -1.674300 2.063006
C 0.088970 -1.013363 -0.254340
C -1.615437 -2.227145 1.661731
C -1.149247 -1.544092 -0.648531
C -4.807261 -0.017288 -0.328870
C 3.775660 -2.816794 -1.511497
C 3.231745 3.406843 2.437070
C 4.848588 -2.190663 -2.233742
C 4.419104 3.859495 1.767339
C -5.489985 0.157265 -1.548734
C -4.072910 1.018180 0.281407
C -5.435601 1.412335 -2.178049
C -4.017556 2.270440 -0.353720
C -4.693583 2.486212 -1.594398
H 1.711252 -0.289287 2.578207
H 2.285161 -2.621025 0.031014
H 1.749385 1.857390 2.626287
H 6.072144 -0.396240 -2.422255
H 5.905910 3.392150 0.242666
H -0.094254 -1.726086 3.117664
H 0.736904 -0.532901 -0.992700
H -3.383158 -2.844252 -1.092660
H -2.281682 -2.707052 2.383487
H -1.455714 -1.470288 -1.699785
H 3.499294 -3.851096 -1.743119
H 2.751423 4.052411 3.180438
H 5.366464 -2.746427 -3.023035
H 4.843701 4.836665 2.021891
H -6.077586 -0.664698 -1.971483
H -3.580959 0.848264 1.244428
H -5.973929 1.572021 -3.119481
H -3.456027 3.089910 0.109534
H -4.121316 4.496538 -1.808318
H -5.129169 3.891404 -3.094796


