%chk=000166390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166390

0 1
 S  -0.5451000       3.069200       1.226400    
 O   1.9999999E-04   4.354000      0.8293000    
 O   -1.898900       2.968400       1.734300    
 N   -4.380500     -0.6604000     -0.2982000    
 N  -0.2815000       1.949900     -5.4099999E-02
 N    1.166400     -0.4508000      0.4473000    
 N    1.750300     -0.5843000     -0.6530000    
 N    2.629600      -4.013700     -0.1007000    
 N    2.567500       2.889700     -0.9714000    
 C   -5.095800      -1.912300     -0.2407000    
 C   -5.137800      0.5687000     -0.5427000    
 C   -2.991900     -0.6020000     -0.1130000    
 C   -5.396600      -2.296400       1.204200    
 C   -5.067600      0.9625000      -2.014500    
 C   -2.322100      0.6249000     -0.1730000    
 C   -2.263800      -1.770800      0.1342000    
 C  -0.9409000      0.6822000      1.2300000E-02
 C   -6.191200      -3.590100       1.318000    
 C   -5.877800       2.212100      -2.330500    
 C  -0.2211000     -0.4869000      0.2585000    
 C  -0.8825000      -1.713500      0.3194000    
 C   0.5511000       2.402000       2.458300    
 C    3.142300     -0.5479000     -0.4631000    
 C    3.844300      -1.728200     -0.2176000    
 C    3.822700      0.6687000     -0.5195000    
 C    5.905800     -0.4755000     -8.5400000E-02
 C    5.225900      -1.692100     -2.8800000E-02
 C    5.204300      0.7049000     -0.3309000    
 C    7.382900     -0.4368000      0.1170000    
 C    3.173000      -2.991400     -0.1530000    
 C    3.129000       1.896200     -0.7693000    
 H   -4.578000      -2.716300     -0.7767000    
 H   -6.050700      -1.812700     -0.7750000    
 H   -4.834900       1.385800      0.1225000    
 H   -6.191700      0.3966000     -0.2846000    
 H   -4.473300      -2.403300       1.784000    
 H   -5.966900      -1.492000       1.685800    
 H   -4.033200       1.128700      -2.333000    
 H   -5.444700      0.1363000      -2.630500    
 H   -2.833000       1.559100     -0.3799000    
 H   -2.719500      -2.753200      0.1956000    
 H   -7.151000      -3.506500      0.7984000    
 H   -5.636000      -4.427600      0.8839000    
 H   -6.391800      -3.821600       2.368700    
 H   -6.933800       2.066900      -2.081600    
 H   -5.505000       3.071200      -1.763800    
 H   -5.808800       2.450200      -3.396500    
 H  -0.3310000      -2.630000      0.5127000    
 H   0.6804000       1.896000     -0.4038000    
 H    1.562800       2.357100       2.052000    
 H   0.2006000       1.413000       2.756900    
 H   0.5316000       3.072000       3.321000    
 H    5.777000      -2.610200      0.1651000    
 H    5.738500       1.652000     -0.3721000    
 H    7.838000      0.3842000     -0.4475000    
 H    7.853900      -1.362700     -0.2301000    
 H    7.613100     -0.3025000       1.178500    


%chk=000166390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166390

0 1
S -0.940888 3.484924 -0.068388
O -0.597387 3.666872 -1.645873
O -2.489376 3.668517 0.409200
N -4.407266 -0.775830 -0.158348
N -0.339853 1.850639 0.615405
N 1.194123 -0.326844 0.236508
N 1.978568 -1.390234 0.112530
N 3.258444 -4.658090 -0.240125
N 2.721942 2.503758 0.576343
C -5.102529 -2.039190 -0.493997
C -5.260636 0.426060 0.014885
C -3.029861 -0.698916 -0.034519
C -5.431094 -2.912270 0.743509
C -5.351325 1.308866 -1.255876
C -2.395164 0.554160 0.229054
C -2.201055 -1.883438 -0.155293
C -0.996785 0.645644 0.325460
C -6.188737 -4.197480 0.349360
C -6.117092 2.619810 -0.978720
C -0.171049 -0.537345 0.167261
C -0.819906 -1.795826 -0.051119
C 0.197759 4.601328 0.969940
C 3.352695 -1.091229 0.153853
C 4.228360 -2.222796 0.027382
C 3.963501 0.204701 0.298464
C 6.232778 -0.789712 0.177656
C 5.633249 -2.066832 0.040221
C 5.380201 0.329415 0.305596
C 7.741608 -0.637540 0.187275
C 3.665181 -3.540058 -0.117450
C 3.205550 1.415588 0.442449
H -4.503494 -2.619034 -1.219938
H -6.043369 -1.774330 -1.011968
H -4.886678 1.028274 0.863243
H -6.272578 0.080941 0.298154
H -4.492236 -3.168556 1.270117
H -6.036969 -2.316504 1.453783
H -4.331932 1.547950 -1.609737
H -5.845222 0.733635 -2.063742
H -2.974862 1.470230 0.348338
H -2.657748 -2.862589 -0.317563
H -7.143742 -3.962054 -0.157315
H -5.588623 -4.823192 -0.337750
H -6.422260 -4.807453 1.239680
H -7.131384 2.425012 -0.580635
H -5.569605 3.242447 -0.247464
H -6.225991 3.212411 -1.904052
H -0.188652 -2.685361 -0.140364
H 0.696776 1.801066 0.568116
H 1.221124 4.230396 0.805316
H -0.138696 4.481707 2.007909
H 0.029476 5.614794 0.581033
H 6.263590 -2.957060 -0.060399
H 5.814680 1.329544 0.413921
H 8.042311 0.420463 0.268014
H 8.191156 -1.046309 -0.736601
H 8.193770 -1.182280 1.037061


