%chk=000122657.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122657

0 1
 S   -4.846300     -0.8371000      6.4499997E-02
 O    1.037600      0.8394000      0.1915000    
 O    3.889900       2.987300     -1.8500000E-02
 O    3.651900      0.7736000      0.3832000    
 O    2.786600      -2.323300      0.7173000    
 O    2.805900      -2.509700      -1.626000    
 O  -3.2600001E-02  -1.586800       1.807600    
 N   0.1521000      -2.098400     -0.4774000    
 N  -0.3463000      0.9942000      3.0999999E-02
 N   -3.086800       1.034200     -0.2272000    
 N   -5.327200       1.693500     -0.5962000    
 C    1.653800       2.092100     -6.3500002E-02
 C    1.334300       2.492200      -1.500800    
 C    1.118100       3.097500      0.9516000    
 C    3.147200       1.860100      0.1258000    
 C   0.8913000      -3.334800     -0.3789000    
 C  -0.9843000     -0.1161000      0.2490000    
 C  -0.2266000      -1.363800      0.6235000    
 C    2.398400      -3.108200     -0.4027000    
 C   -2.444700     -0.1222000      0.1143000    
 C   -3.198100      -1.239100      0.3161000    
 C   -4.374300      0.7755000     -0.2842000    
 H   0.2703000       2.702500      -1.655300    
 H    1.889000       3.389900      -1.795100    
 H    1.606400       1.690000      -2.197200    
 H    1.251500       2.725700       1.974500    
 H   4.9400002E-02   3.300900      0.8229000    
 H    1.640900       4.057300      0.8761000    
 H   0.6002000      -3.836800      0.5503000    
 H   0.5853000      -3.950500      -1.230800    
 H  -9.3099996E-02  -1.763500      -1.404900    
 H    2.902800      -4.077400     -0.3254000    
 H   -2.903200      -2.242700      0.5884000    
 H    4.847000       2.813400      0.1076000    
 H    3.709900      -2.549800      0.9208000    
 H    2.117000      -1.879100      -1.894800    
 H   -5.091400       2.657200     -0.8088000    
 H   -6.312100       1.451600     -0.6290000    


%chk=000122657-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122657

0 1
S -5.270795 -0.705499 -0.276291
O 0.898705 0.654019 -0.435750
O 3.855096 2.726148 -0.716318
O 3.524934 0.442260 -0.743471
O 2.769556 -2.352756 1.667668
O 3.423003 -2.371193 -0.646117
O -1.112563 -2.490803 -1.410903
N 0.477513 -1.959575 0.201270
N -0.551228 0.874832 -0.340235
N -3.266880 1.045626 0.134405
N -5.429105 1.976915 0.567698
C 1.570035 1.986599 -0.512813
C 1.094305 2.759358 -1.763646
C 1.340446 2.778172 0.793359
C 3.045055 1.593501 -0.664317
C 1.181660 -3.243194 0.115675
C -1.212888 -0.274105 -0.387083
C -0.602888 -1.662946 -0.588125
C 2.686490 -3.061586 0.374924
C -2.680316 -0.174285 -0.274798
C -3.567146 -1.213937 -0.537946
C -4.580996 0.962452 0.191932
H 0.016497 2.964125 -1.660070
H 1.645553 3.709420 -1.856862
H 1.251180 2.160636 -2.677434
H 1.699119 2.208547 1.668357
H 0.257649 2.950906 0.906827
H 1.869375 3.744436 0.754825
H 0.781686 -3.958525 0.861121
H 1.023134 -3.668816 -0.888804
H 0.883579 -1.250748 0.819339
H 3.168795 -4.055143 0.437537
H -3.331096 -2.205761 -0.914122
H 4.805275 2.450804 -0.830112
H 3.725328 -2.165442 1.851634
H 3.139085 -1.415008 -0.731763
H -5.020661 2.872686 0.824572
H -6.436693 1.856681 0.585136


