%chk=000082977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082977

1 1
 S   -1.814000       1.909900      -1.013300    
 O   -6.984800       1.428600     -0.4847000    
 O  -0.5111000      -4.197300       1.316200    
 N   -1.804100     -0.3552000      6.3699998E-02
 N    6.501700      0.2322000      6.7599997E-02
 N   0.3695000      0.4348000     -0.4389000    
 N   0.9569000      0.8793000      0.5792000    
 N  -0.6821000      -4.991300     -0.8350000    
 C   -3.137000     -2.0700000E-02 -1.8100001E-02
 C   -1.339000      -1.602500      0.6296000    
 C   -3.344100       1.224600     -0.5984000    
 C  -0.9745000      0.5468000     -0.4134000    
 C   -1.236100      -2.686200     -0.4354000    
 C   -4.217200     -0.8021000      0.4161000    
 C   -4.637000       1.739200     -0.7680000    
 C    5.106500      0.3952000      0.1962000    
 C   -5.713800      0.9578000     -0.3339000    
 C    7.393100      0.6851000       1.116900    
 C    7.062700     -0.3776000      -1.121400    
 C   -5.508600     -0.2926000      0.2489000    
 C    4.257400     -3.1700000E-02 -0.8248000    
 C    4.576000      0.9830000       1.344600    
 C  -0.7740000      -4.012900      0.1315000    
 C    2.347200      0.7171000      0.4509000    
 C    7.627400       2.178500      0.9947000    
 C    7.337600      0.6816000      -2.171400    
 C    2.877800      0.1293000     -0.6975000    
 C    3.196400       1.144000       1.471800    
 C   -7.949300       1.005600      0.4762000    
 C   -8.983600       2.097300      0.6501000    
 H  -0.3643000      -1.459000       1.112300    
 H   -1.997300      -1.917600       1.447000    
 H  -0.5305000      -2.380500      -1.217100    
 H   -2.209600      -2.838200     -0.9162000    
 H   -4.092500      -1.784800      0.8585000    
 H   -4.799800       2.712300      -1.221200    
 H    8.366200      0.1854000       1.026500    
 H    7.041900      0.4077000       2.117000    
 H    6.463000      -1.202500      -1.518400    
 H    8.019700     -0.8553000     -0.8730000    
 H   -6.334000     -0.9267000      0.5610000    
 H    4.604000     -0.4770000      -1.750300    
 H    5.179200       1.335800       2.173600    
 H    8.150100       2.431800      6.8700001E-02
 H    6.701700       2.760300       1.018000    
 H    8.255400       2.522700       1.823400    
 H    7.680400      0.2072000      -3.097000    
 H    8.123700       1.371600      -1.853600    
 H    6.445500       1.270200      -2.406900    
 H    2.270400     -0.2198000      -1.528300    
 H    2.790400       1.603000       2.369600    
 H   -7.498400      0.8262000       1.460300    
 H   -8.433300      8.9100003E-02  0.1213000    
 H  -0.3842000      -5.932000     -0.5986000    
 H  -0.9052000      -4.814500      -1.809300    
 H   -8.512200       3.024600      0.9924000    
 H   -9.470900       2.322200     -0.3045000    
 H   -9.747600       1.801400       1.374400    


%chk=000082977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082977

1 1
S -1.859806 2.112859 0.740872
O -7.090421 1.699332 0.738146
O 0.951940 -3.189013 -0.667197
N -1.968483 -0.534224 0.371449
N 6.625580 0.443094 0.468127
N 0.260654 0.223931 0.431666
N 1.070584 1.294398 0.577285
N -0.132759 -4.155149 -2.475361
C -3.322006 -0.136353 0.432558
C -1.500629 -1.931576 0.167977
C -3.471701 1.268248 0.636885
C -1.056549 0.486448 0.496881
C -1.233175 -2.262585 -1.320873
C -4.465592 -0.956278 0.322503
C -4.729669 1.866190 0.736969
C 5.262932 0.631166 0.461719
C -5.878706 1.036250 0.628463
C 7.567355 1.593644 0.594948
C 7.229984 -0.907434 0.278438
C -5.740361 -0.369678 0.420857
C 4.351741 -0.483438 0.268447
C 4.684865 1.944363 0.659307
C -0.049512 -3.246497 -1.443462
C 2.415009 1.003422 0.517547
C 7.757802 2.391885 -0.714716
C 7.350358 -1.334437 -1.202079
C 2.977677 -0.309753 0.297643
C 3.308811 2.116658 0.689730
C -8.353846 0.916388 0.644315
C -9.497196 1.912872 0.794046
H -0.546801 -2.041697 0.708901
H -2.244236 -2.611404 0.613856
H -0.918167 -1.337932 -1.840631
H -2.136570 -2.638072 -1.832935
H -4.376822 -2.034824 0.163753
H -4.864509 2.938970 0.895426
H 8.537335 1.184193 0.922784
H 7.217968 2.256506 1.406819
H 6.642471 -1.647197 0.849457
H 8.231599 -0.882201 0.740195
H -6.623175 -1.007917 0.336848
H 4.743575 -1.486956 0.088653
H 5.326450 2.816903 0.795125
H 8.194724 1.763279 -1.508795
H 6.803274 2.800881 -1.087503
H 8.445374 3.236965 -0.533446
H 7.782801 -2.349084 -1.258848
H 8.010053 -0.653031 -1.765450
H 6.366674 -1.351510 -1.702071
H 2.304541 -1.161615 0.145882
H 2.869262 3.106149 0.850046
H -8.364934 0.158241 1.452452
H -8.385579 0.405044 -0.338392
H 0.647246 -4.796056 -2.627317
H -0.941630 -4.211086 -3.092349
H -9.445392 2.427202 1.768039
H -9.464116 2.671709 -0.005323
H -10.464596 1.383207 0.731339


