%chk=000173213.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173213

0 1
 S  -0.6410000     -4.3600000E-02 -0.3058000    
 S   -5.496800       2.789400     -0.5984000    
 F   0.1114000       1.002100       1.938500    
 F    1.210000     -0.7783000       1.358800    
 F    2.618200       1.521600       1.335400    
 F    1.186400       2.474100      1.7500000E-02
 F    1.707200      0.7117000      -1.962800    
 F    3.399800       1.837500      -1.225300    
 F    2.502100      -1.511400     -0.6368000    
 F    3.930200     -0.6694000      -2.036500    
 F    3.911200     -0.5465000       1.479700    
 F    5.005800      -1.826900      0.1101000    
 F    6.505200      0.2198000       1.113000    
 F    6.198900      0.3344000      -1.036600    
 F    5.111000       1.682300      0.2880000    
 O   -1.033300       1.177100     -0.9844000    
 O  -0.2123000      -1.198000      -1.072900    
 O   -4.972700     -0.1770000      0.7151000    
 O   -6.097800       4.108700      0.1482000    
 O   -6.584100       1.867500     -0.8669000    
 O   -4.586200       3.217900      -1.643300    
 N   -1.911600     -0.5332000      0.7408000    
 N   -3.632300      -4.331900     -0.3063000    
 C   0.6560000      0.3589000      0.8660000    
 C   -2.759700      0.5159000       1.357200    
 C   -1.694200      -1.686900       1.646800    
 C    1.748300       1.266600      0.3164000    
 C   -3.961800      0.7983000      0.4586000    
 C    2.551000      0.8208000     -0.8982000    
 C   -2.710800      -2.787500       1.360100    
 C    3.358200     -0.4675000     -0.8128000    
 C   -4.548600       2.172200      0.7604000    
 C   -2.630300      -3.296200     -8.0399998E-02
 C    4.452700     -0.5856000      0.2369000    
 C    5.574000      0.4209000      0.1596000    
 C   -3.300700      -5.118500      -1.495400    
 C   -4.963500      -3.739100     -0.4443000    
 H   -3.097500      0.2195000       2.356800    
 H   -2.156000       1.419800       1.490900    
 H   -1.733900      -1.384900       2.699000    
 H  -0.6945000      -2.106100       1.494200    
 H   -3.689500      0.7149000     -0.5987000    
 H   -2.531200      -3.619400       2.053100    
 H   -3.706800      -2.398300       1.591200    
 H   -5.213800       2.139600       1.629900    
 H   -3.763300       2.915800      0.9332000    
 H   -1.623900      -3.711500     -0.2224000    
 H   -2.742700      -2.482400     -0.8068000    
 H   -5.212900     -0.1278000       1.656000    
 H   -2.329900      -5.612200      -1.373900    
 H   -3.264800      -4.502000      -2.401100    
 H   -4.037300      -5.915100      -1.648700    
 H   -5.295500      -3.254700      0.4784000    
 H   -5.706000      -4.519200     -0.6505000    
 H   -5.010900      -3.007300      -1.259200    
 H   -5.446900       4.826700      0.3304000    


%chk=000173213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173213

0 1
S -0.386295 -0.201645 -0.506959
S -5.859221 2.583874 -0.685358
F 0.486819 0.531623 2.141801
F 1.848227 -1.062838 1.246377
F 3.182263 1.419870 1.874661
F 1.574813 2.510486 0.672169
F 2.279354 1.228845 -1.647319
F 3.939521 2.408336 -0.601194
F 3.399224 -1.155596 -0.967993
F 4.762494 0.293779 -2.084197
F 4.793146 -0.763163 1.394972
F 6.027108 -1.422873 -0.409157
F 7.481239 0.164698 1.189189
F 6.951593 1.317748 -0.690778
F 5.913085 1.793923 1.272925
O -0.825176 1.195161 -1.213021
O 0.086046 -1.498322 -1.351220
O -4.917209 -0.192125 0.654994
O -6.770592 3.426813 0.690995
O -6.619028 1.186295 -1.055471
O -5.564270 3.630951 -1.874710
N -1.873077 -0.711695 0.489422
N -4.451526 -4.246071 -0.134734
C 1.257568 0.183606 1.005309
C -2.618691 0.442451 1.037959
C -1.692568 -1.944850 1.295557
C 2.295166 1.291403 0.754289
C -3.886386 0.734711 0.195714
C 3.175414 1.216735 -0.550707
C -2.980453 -2.803026 1.272037
C 4.169204 0.020381 -0.827503
C -4.305674 2.198221 0.415928
C -3.284219 -3.342862 -0.140884
C 5.343336 -0.327452 0.169138
C 6.432439 0.764774 0.483166
C -4.411174 -5.336651 -1.122722
C -5.761665 -3.578733 -0.042383
H -2.928565 0.218662 2.075307
H -1.973316 1.341085 1.052591
H -1.418940 -1.697432 2.341918
H -0.863130 -2.520473 0.842704
H -3.637601 0.573680 -0.872352
H -2.839568 -3.651795 1.969330
H -3.830691 -2.200219 1.636838
H -4.679908 2.400775 1.431226
H -3.565419 2.936395 0.068227
H -2.409749 -3.910504 -0.510610
H -3.426673 -2.478501 -0.832829
H -5.719483 -0.074960 0.063849
H -3.455116 -5.882327 -1.042090
H -4.517318 -4.977994 -2.175783
H -5.232129 -6.048995 -0.924139
H -5.747230 -2.817607 0.754041
H -6.543107 -4.321952 0.197115
H -6.047376 -3.070146 -0.995798
H -7.612918 3.821127 0.321965


