%chk=000152471.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152471

0 1
 S    3.639000     -0.7313000      -1.025000    
 S  -0.3220000      -1.891300       1.459700    
 O    4.648700      -2.010600     -0.9339000    
 O    2.828600     -0.8921000      -2.216100    
 O    4.414100      0.4723000     -0.7971000    
 O   -1.788500      -1.361300       1.932500    
 O   0.5620000      -1.856100       2.606500    
 O  -0.5048000      -3.105000      0.6912000    
 O    1.447400       3.185700      -1.669200    
 O   -1.728700      -1.929600      -2.348800    
 N    3.467700     -0.9977000       1.675900    
 N    2.149600      -2.490500      0.4257000    
 C    2.623100      -1.100800      0.4777000    
 C    1.463700     -7.2499998E-02  0.4303000    
 C   9.5600002E-02 -0.5993000      0.3831000    
 C    1.673300       1.265300      0.4402000    
 C  -0.8662000     -4.6100002E-02 -0.3779000    
 C   0.6244000       2.294300      0.4057000    
 C   -2.257100     -0.4932000     -0.4956000    
 C   0.5510000       3.212500     -0.6419000    
 C  -0.3063000       2.344600       1.443500    
 C   -2.637100      -1.413700      -1.472400    
 C   -3.207500      1.7899999E-02  0.3884000    
 C  -0.4530000       4.180700     -0.6516000    
 C   -1.310300       3.312900       1.433800    
 C   -1.383600       4.231000      0.3863000    
 C   -3.967500      -1.823000      -1.565100    
 C   -4.537800     -0.3914000      0.2954000    
 C   -4.917800      -1.311700     -0.6813000    
 H    2.678700       1.671200      0.4908000    
 H    2.897400      -1.146000       2.507100    
 H    3.853500     -5.7700001E-02   1.751400    
 H    2.879000      -3.076000      1.8500000E-02
 H    2.055800      -2.838500       1.380100    
 H  -0.6328000      0.7198000      -1.112600    
 H    5.265600      -2.008400     -0.1645000    
 H  -0.2595000       1.652500       2.281300    
 H   -2.943600      0.7558000       1.141500    
 H  -0.5231000       4.902500      -1.461100    
 H   -2.032900       3.354100       2.243400    
 H   -2.250700      -1.930800       2.591500    
 H   -2.165300       4.985000      0.3791000    
 H   -4.278400      -2.539400      -2.320900    
 H   -5.278800      1.1000000E-02  0.9799000    
 H   -5.953800      -1.629200     -0.7542000    
 H    1.233400       3.896500      -2.297600    
 H   -2.179700      -2.549600      -2.947200    


%chk=000152471-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152471

0 1
S 2.612883 -3.033568 -2.761812
S -0.992344 -0.672108 2.331286
O 3.810199 -2.655360 -1.027379
O 1.406282 -1.941176 -2.404533
O 2.123508 -4.558230 -2.520202
O 0.071744 0.486364 3.332952
O -0.427141 -2.181541 2.581524
O -2.522528 -0.341599 2.757741
O 2.529365 4.251837 1.125436
O -1.038905 -2.231851 -2.995254
N 3.187219 -0.156185 -0.375133
N 1.982272 -1.805008 0.732698
C 2.096573 -0.525814 0.341084
C 1.011343 0.460890 0.630426
C -0.342957 -0.124603 0.576437
C 1.346226 1.781940 0.852039
C -0.902868 -0.676548 -0.550475
C 0.495486 2.942032 1.080367
C -2.103145 -1.424885 -0.885579
C 1.129132 4.221424 1.220199
C -0.928588 2.908295 1.167535
C -2.107408 -2.140911 -2.145628
C -3.299975 -1.428898 -0.098132
C 0.378655 5.398392 1.433248
C -1.682964 4.075883 1.373146
C -1.027579 5.324540 1.509477
C -3.295908 -2.794017 -2.574990
C -4.456204 -2.089078 -0.534737
C -4.452874 -2.771041 -1.782727
H 2.419525 2.014977 0.873989
H 3.800818 -0.941767 -0.707195
H 3.178927 0.734313 -0.869110
H 2.644581 -2.484730 0.283327
H 1.201595 -2.112855 1.332664
H -0.251405 -0.485975 -1.422918
H 4.516355 -3.353040 -1.028565
H -1.441134 1.948544 1.070756
H -3.333899 -0.877868 0.846071
H 0.887262 6.365278 1.537453
H -2.773531 4.017014 1.436330
H -0.314765 0.455841 4.256220
H -1.609015 6.237497 1.676084
H -3.262193 -3.322092 -3.532124
H -5.361321 -2.066314 0.080221
H -5.356471 -3.285331 -2.129191
H 2.878089 5.168026 1.254081
H -0.058118 -2.137892 -2.640605


