%chk=000146127.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146127

0 1
 S    4.045800       1.932800     -8.6599998E-02
 S   -2.254300       2.281700     -0.5188000    
 S   2.9200001E-02  -3.686700      6.3699998E-02
 S   -1.091700      -2.411300      -1.093000    
 O    3.203200       3.107800     -0.1999000    
 O    5.008100       1.606800      -1.120200    
 O   -2.422800       3.697600     -0.7842000    
 O   -1.641400       1.410200      -1.501400    
 N    2.440900      -1.697900      0.5514000    
 N   -3.613700     -0.5143000      -1.000100    
 N    3.051100      0.5817000      0.2522000    
 N   -3.756900       1.642200     -6.5000001E-03
 N    4.551800      -1.089500     -0.4179000    
 N   -4.913400     -0.1396000      0.9841000    
 C    1.157400      -1.380100       1.133400    
 C   -3.818300      -1.925300      -1.230500    
 C   0.3898000      -2.641600       1.508300    
 C   -2.768300      -2.763400     -0.5119000    
 C    3.402400     -0.8079000      0.1033000    
 C   -4.137600      0.2529000      2.7000001E-02
 C    4.916300       2.052600       1.457500    
 C   -1.338400       2.132600      0.9962000    
 C    4.902200      -2.495000     -0.5648000    
 C   -5.341400      0.8537000       1.958700    
 H   0.5774000     -0.7377000      0.4637000    
 H    1.321000     -0.8061000       2.053700    
 H   -3.786700      -2.121200      -2.309000    
 H   -4.819000      -2.218900     -0.8927000    
 H   0.9765000      -3.244100       2.210600    
 H  -0.5491000      -2.384700       2.009800    
 H   -2.818000      -2.569100      0.5652000    
 H   -2.986100      -3.823400     -0.6805000    
 H    2.640900      -2.690700      0.4644000    
 H   -3.027600     -4.9300000E-02  -1.687400    
 H    2.149600      0.8049000      0.6894000    
 H   -4.286900       2.304000      0.5709000    
 H    5.494800       1.140200       1.613400    
 H    4.194100       2.201800       2.262300    
 H    5.588900       2.911300       1.399700    
 H   -1.281500       1.078600       1.274700    
 H   -1.835800       2.717100       1.772400    
 H  -0.3331000       2.523400      0.8233000    
 H    4.202000      -3.016500      -1.225800    
 H    4.947300      -3.001200      0.4051000    
 H    5.895700      -2.568100      -1.018200    
 H   -6.008000       1.601600       1.516200    
 H   -4.497800       1.330100       2.470300    
 H   -5.921500      0.3433000       2.735300    


%chk=000146127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146127

0 1
S 2.794986 1.897530 0.733963
S -2.311331 2.787001 -1.098789
S 0.048726 -3.997646 -0.018783
S -0.956900 -2.281550 -1.122080
O 1.884877 2.921373 1.619892
O 2.406752 1.691316 -0.833371
O -2.646290 4.307320 -0.642956
O -2.796899 2.221837 -2.558365
N 2.212563 -1.978173 1.225670
N -3.312083 -0.215119 -1.140157
N 2.689602 0.315111 1.723906
N -3.075723 1.713760 0.235238
N 4.206797 -0.868556 0.397057
N -4.036114 -0.311569 1.106090
C 0.852537 -1.895218 1.780519
C -3.675924 -1.616882 -1.382834
C 0.156316 -3.259656 1.736611
C -2.772746 -2.624830 -0.647967
C 3.076113 -0.890378 1.068619
C -3.520050 0.364086 0.105004
C 4.651352 2.242102 0.879045
C -0.457714 2.406356 -0.910392
C 4.599637 -2.075800 -0.351412
C -4.163509 0.288519 2.444881
H 0.227181 -1.169829 1.215699
H 0.886509 -1.578066 2.843658
H -3.630097 -1.785635 -2.473377
H -4.713138 -1.812145 -1.040959
H 0.716385 -4.025245 2.304241
H -0.863725 -3.179557 2.142935
H -2.881171 -2.500153 0.439134
H -3.008917 -3.657149 -0.951021
H 2.385852 -2.787256 0.620268
H -3.208968 0.422320 -1.944842
H 1.802012 0.340496 2.246034
H -3.560131 2.322108 0.907174
H 5.097200 1.288605 0.548752
H 4.826863 2.452994 1.942286
H 4.851932 3.100978 0.223348
H -0.361592 1.317447 -1.015267
H -0.156022 2.776662 0.079438
H 0.043578 2.942564 -1.727071
H 3.832100 -2.397732 -1.091512
H 4.803379 -2.939763 0.319303
H 5.524314 -1.862826 -0.910773
H -4.965538 1.057860 2.495209
H -3.225042 0.763853 2.807142
H -4.440839 -0.506164 3.157617


