%chk=000134028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134028

0 1
 S   -3.570400      0.4549000      0.6951000    
 O   -4.163300     -0.4885000       1.629100    
 O   -3.629700       1.882600      0.9667000    
 O   -2.508000      -2.312900      0.2544000    
 O    6.133000      0.8483000     -0.2756000    
 O    5.072300      -1.171000     -0.4077000    
 N    1.580100       1.298400      0.2576000    
 N    2.139200     -0.8295000     -5.7599999E-02
 N    3.888800      0.8269000     -4.2100001E-02
 C   -4.313700      0.1945000     -0.8979000    
 C   -1.894400     -3.4000000E-03  0.4666000    
 C   -5.791700      0.5476000     -0.8832000    
 C   0.4006000      0.6002000      0.2978000    
 C  -0.9223000       1.002100      0.4855000    
 C   -1.548600      -1.342100      0.2691000    
 C   0.7760000     -0.7254000      9.8499998E-02
 C  -0.2137000      -1.722500      8.2699999E-02
 C   -6.434300      0.3070000      -2.238900    
 C    2.589100      0.4011000      4.3200001E-02
 C    5.024200      4.3299999E-02 -0.2561000    
 C    7.386700      0.1883000     -0.4873000    
 H   -4.178900     -0.8560000      -1.170000    
 H   -3.774100      0.8194000      -1.617200    
 H   -6.314800     -4.9500000E-02 -0.1271000    
 H   -5.926000       1.598700     -0.6025000    
 H   -1.160100       2.048900      0.6341000    
 H   6.0300000E-02  -2.761700     -7.1099997E-02
 H    1.685300       2.298100      0.3670000    
 H   -7.496600      0.5684000      -2.206900    
 H   -5.957500      0.9173000      -3.012700    
 H   -6.352100     -0.7448000      -2.531200    
 H   -2.086000      -3.176100      0.1041000    
 H    4.041600       1.826800      6.2399998E-02
 H    7.578300     -0.5269000      0.3182000    
 H    8.174700      0.9460000     -0.4787000    
 H    7.391100     -0.3123000      -1.460200    


%chk=000134028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134028

0 1
S -3.296322 1.071252 0.077392
O -4.051110 1.145265 1.523533
O -2.860760 2.467402 -0.673956
O -2.916042 -1.865132 0.909410
O 6.311223 0.139712 -0.111722
O 4.510744 1.577385 -0.597514
N 2.038280 0.493871 -0.098073
N 2.085829 -1.659140 0.705012
N 4.198333 -0.601363 0.235329
C -4.422803 0.077706 -1.150846
C -1.680416 0.079094 0.206044
C -5.799098 0.742534 -1.202825
C 0.695308 0.123630 0.091081
C -0.517354 0.799414 -0.108845
C -1.667483 -1.255410 0.692359
C 0.748755 -1.225591 0.594546
C -0.442001 -1.926375 0.887310
C -6.755840 -0.061460 -2.115551
C 2.803092 -0.600377 0.283297
C 4.965469 0.471693 -0.194254
C 7.250890 1.203379 -0.540623
H -4.430389 -0.938047 -0.724951
H -3.862168 0.124298 -2.098821
H -6.211894 0.801356 -0.178428
H -5.699542 1.778286 -1.577133
H -0.613619 1.828097 -0.474875
H -0.402467 -2.960786 1.245127
H 2.444391 1.370828 -0.438250
H -7.746572 0.425625 -2.151451
H -6.371867 -0.123730 -3.150556
H -6.897985 -1.091921 -1.740815
H -2.827049 -2.685139 1.453468
H 4.663176 -1.457121 0.546105
H 7.072934 1.464674 -1.596743
H 8.247301 0.762350 -0.403432
H 7.122157 2.099944 0.087750


