%chk=000172943.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172943

0 1
 S    1.081900      -1.908200      0.3662000    
 O   0.7178000       1.885700      0.5418000    
 O    5.843600       1.467100     -0.4336000    
 O    6.176000      -1.284400     -0.5743000    
 N   -3.394900     -0.3889000     -0.1701000    
 N   0.2549000     -0.4170000      0.5633000    
 C   -5.271300      0.8543000       1.021600    
 C   -5.702400     -0.6827000      -1.208100    
 C   -5.859900     -0.5274000       1.346300    
 C   -6.118300       1.553200     -4.5699999E-02
 C   -6.103500      -1.387400      9.7199999E-02
 C   -6.355000      0.7006000      -1.285700    
 C   -3.782500      0.7831000      0.6155000    
 C   -4.170700     -0.6046000      -1.392000    
 C   -1.961300     -0.3671000     -0.4623000    
 C   -1.157800     -0.4093000      0.8292000    
 C    1.056400      0.7164000      0.4444000    
 C    2.451100      0.3221000      0.1711000    
 C    2.610800      -1.061100      0.1023000    
 C    3.518900       1.189100     -4.9000001E-03
 C    3.856700      -1.613900     -0.1473000    
 C    4.776100      0.6374000     -0.2566000    
 C    4.943800     -0.7542000     -0.3277000    
 C    5.595100       2.868300     -0.3471000    
 C    6.994600      -1.571100      0.5568000    
 H   -5.325200       1.467700       1.931400    
 H   -6.091800      -1.274900      -2.047300    
 H   -6.816300     -0.3940000       1.868300    
 H   -5.208600      -1.063100       2.047900    
 H   -5.659500       2.507400     -0.3324000    
 H   -7.092100       1.814100      0.3893000    
 H   -7.170700      -1.640700      5.2099999E-02
 H   -5.573200      -2.342900      0.1921000    
 H   -6.008400       1.236700      -2.177700    
 H   -7.437400      0.5747000      -1.420600    
 H   -3.486400       1.713100      0.1129000    
 H   -3.262000      0.7651000       1.577700    
 H   -3.859800      -1.569600      -1.815000    
 H   -3.926300      0.1537000      -2.147700    
 H   -1.690700      0.5163000      -1.056100    
 H   -1.693900      -1.243800      -1.066300    
 H   -1.422400      -1.281800       1.439400    
 H   -1.323900      0.4831000       1.438700    
 H    3.321200       2.251700      6.2300000E-02
 H    3.990000      -2.690100     -0.2034000    
 H    5.251600       3.156800      0.6521000    
 H    4.915700       3.207700      -1.136400    
 H    6.551300       3.375700     -0.5123000    
 H    7.944200      -1.977700      0.1985000    
 H    6.514700      -2.317000       1.198400    
 H    7.197700     -0.6595000       1.127600    


%chk=000172943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172943

0 1
S 0.967626 -2.009720 -0.085857
O 0.694017 1.732235 1.175845
O 6.024991 1.274462 0.018948
O 6.148852 -1.434562 -0.858196
N -3.494662 -0.200254 -0.270299
N 0.208034 -0.485792 0.565952
C -5.386169 1.176629 0.743841
C -5.824991 -0.920765 -1.002569
C -5.746373 -0.143121 1.474393
C -6.460607 1.503072 -0.326392
C -6.035569 -1.320297 0.481533
C -6.658395 0.342732 -1.350533
C -3.937749 1.143831 0.169490
C -4.315628 -0.782915 -1.355981
C -2.041464 -0.271978 -0.532124
C -1.240610 -0.425070 0.787674
C 1.082283 0.598904 0.748624
C 2.452698 0.184119 0.378141
C 2.572484 -1.144685 -0.078630
C 3.592117 1.015831 0.440179
C 3.816517 -1.679234 -0.456825
C 4.846202 0.511603 0.046241
C 4.962892 -0.857098 -0.391266
C 5.913267 2.690048 0.387849
C 7.384938 -1.280939 -0.058678
H -5.404918 2.001950 1.485339
H -6.206766 -1.743761 -1.642403
H -6.636933 0.041710 2.107452
H -4.917430 -0.419334 2.150929
H -6.187491 2.441461 -0.846944
H -7.415076 1.705661 0.198201
H -7.082152 -1.664759 0.601324
H -5.383866 -2.180576 0.721696
H -6.395434 0.674762 -2.373817
H -7.727643 0.055798 -1.384172
H -3.858896 1.892383 -0.662672
H -3.237986 1.478937 0.957333
H -3.907079 -1.792059 -1.558438
H -4.227414 -0.198381 -2.310234
H -1.655013 0.620273 -1.081608
H -1.841402 -1.153596 -1.170170
H -1.584048 -1.327243 1.324989
H -1.398365 0.449921 1.442758
H 3.451850 2.045712 0.782110
H 3.946514 -2.708219 -0.803270
H 5.581040 2.806168 1.437220
H 5.213695 3.220929 -0.285342
H 6.927674 3.097987 0.269889
H 8.135252 -1.882126 -0.593765
H 7.233574 -1.686643 0.959846
H 7.691513 -0.225291 -0.003811


