%chk=000151602.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151602

0 1
 S    5.568600      0.1060000     -0.5227000    
 O    1.252500       1.111400       2.791600    
 O    6.856400      0.6550000     -0.9043000    
 O    5.366000     -0.4454000      0.8024000    
 N  -0.8524000      0.3958000       1.066400    
 N   -4.424900     -0.6674000     -0.8505000    
 N    4.349900       1.262600     -0.9012000    
 C   -2.063900      3.5300002E-02  0.4163000    
 C   -2.913400       1.034200     -7.0100002E-02
 C   -2.396000      -1.315100      0.2687000    
 C   0.4461000      0.6134000      0.5874000    
 C   -4.100300      0.6320000     -0.7057000    
 C   -3.603100      -1.625400     -0.3802000    
 C    3.031900       1.042900     -0.3987000    
 C    1.485500      0.9686000       1.456100    
 C   -2.604600       2.399000      6.4400002E-02
 C   -1.560900      -2.339500      0.7477000    
 C   0.7146000      0.4754000     -0.7800000    
 C    2.773300       1.182400      0.9650000    
 C    2.002500      0.6893000      -1.271000    
 C   -4.950200       1.621700      -1.192200    
 C   -3.939400      -2.968200     -0.5303000    
 C    5.177000      -1.162100      -1.707200    
 C   -3.471200       3.368800     -0.4308000    
 C   -1.920100      -3.674200      0.5850000    
 C   -4.646400       2.979000      -1.060300    
 C   -3.111900      -3.988800     -5.5399999E-02
 C    6.121900      -2.337400      -1.594400    
 C    1.412500     -4.9199998E-02   3.604200    
 H  -0.9718000      0.5507000       2.063000    
 H   -1.696500       2.738700      0.5555000    
 H  -0.6242000      -2.128700       1.257100    
 H  -6.6000000E-02  0.2005000      -1.484500    
 H    3.567200       1.471100       1.649800    
 H    4.374000       1.622000      -1.865000    
 H    2.192900      0.5765000      -2.335200    
 H   -5.877200       1.341600      -1.689500    
 H   -4.868100      -3.240400      -1.028600    
 H    4.152500      -1.495400      -1.519700    
 H    5.237700     -0.7178000      -2.705100    
 H   -3.231100       4.422300     -0.3247000    
 H   -1.274000      -4.463500      0.9568000    
 H   -5.329800       3.727700      -1.450000    
 H   -3.401700      -5.027200     -0.1873000    
 H    6.072600      -2.791700     -0.5996000    
 H    7.158100      -2.030900      -1.769800    
 H    5.864800      -3.104500      -2.331300    
 H    2.450300     -0.3962000       3.574000    
 H   0.7407000     -0.8494000       3.278300    
 H    1.163200      0.2175000       4.634800    


%chk=000151602-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151602

0 1
S 5.736305 -0.395836 -0.572442
O 1.157029 1.344536 2.322659
O 7.160758 -0.226385 -1.346739
O 5.644519 -0.243884 1.050999
N -0.815513 0.568483 0.775529
N -4.626338 -0.666160 -0.809474
N 4.413159 1.042526 -1.337286
C -2.047291 0.143174 0.221062
C -3.182300 1.010763 0.335646
C -2.213177 -1.146433 -0.379769
C 0.447670 0.614596 0.172863
C -4.464286 0.540453 -0.179307
C -3.531896 -1.484584 -0.912375
C 3.094825 0.859475 -0.876679
C 1.539686 1.050893 1.002513
C -3.112640 2.327929 0.910478
C -1.180127 -2.147443 -0.424269
C 0.711865 0.322670 -1.191858
C 2.833375 1.183752 0.492193
C 2.019492 0.407219 -1.700125
C -5.621571 1.384797 -0.043318
C -3.719475 -2.763342 -1.548187
C 5.050782 -2.199454 -0.986095
C -4.254188 3.119320 1.021081
C -1.408339 -3.383761 -1.022435
C -5.523904 2.639051 0.551135
C -2.683964 -3.689242 -1.610034
C 5.785441 -3.216458 -0.118368
C 2.207821 1.787442 3.249307
H -0.843230 1.018098 1.696888
H -2.147047 2.727073 1.240207
H -0.209191 -1.935708 0.031766
H -0.110476 0.023585 -1.846946
H 3.670523 1.525430 1.104589
H 4.514031 0.877662 -2.360513
H 2.208589 0.158310 -2.751581
H -6.568189 0.995583 -0.430148
H -4.713319 -2.971784 -1.955699
H 3.972018 -2.123583 -0.772962
H 5.245927 -2.292110 -2.066450
H -4.184081 4.122204 1.456136
H -0.613364 -4.137375 -1.037457
H -6.411228 3.273710 0.649895
H -2.840796 -4.662363 -2.087974
H 5.647895 -2.992313 0.953075
H 6.866007 -3.229127 -0.340727
H 5.379569 -4.226811 -0.316919
H 2.647103 2.746259 2.916089
H 3.001652 1.022761 3.333921
H 1.703487 1.919403 4.217304


