%chk=000096439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096439

0 1
 S    2.071000     -0.3434000       2.098400    
 O    5.091600      -2.542800     -0.9124000    
 O    3.381900      -1.701000      -2.163200    
 O    1.252800       2.996400      -1.550500    
 O    2.807900       3.763500     -9.8800004E-02
 O   -1.355800       2.549900      0.8332000    
 O   -3.283800       1.017700     -0.2536000    
 N    3.082000      0.2811000     -0.2904000    
 N   0.3343000       1.147200      6.5700002E-02
 C    2.640400      -1.713900       1.025400    
 C    3.667100     -0.9949000      0.1287000    
 C    2.603100      0.9467000      0.9245000    
 C    1.453600       1.884000      0.5920000    
 C    1.417500      -2.269600      0.2817000    
 C    3.291700      -2.805600       1.874500    
 C    4.001700      -1.762000      -1.111700    
 C    1.914700       2.967600     -0.3689000    
 C  -0.9860000       1.545100      0.2320000    
 C   -1.951800      0.5829000     -0.4260000    
 C   -4.258300      4.9300000E-02 -0.2001000    
 C   -4.080500      -1.138700     -0.8956000    
 C   -5.405400      0.2746000      0.5482000    
 C   -5.069400      -2.120900     -0.8419000    
 C   -6.394300     -0.7077000      0.6020000    
 C   -6.226300      -1.905300     -9.3099996E-02
 H    4.603000     -0.7856000      0.6676000    
 H    3.430300       1.496600       1.388600    
 H    3.776500      0.8603000     -0.7604000    
 H    1.113200       2.409400       1.494000    
 H   0.9788000      -1.564000     -0.4258000    
 H    1.694800      -3.158200     -0.2982000    
 H   0.6312000      -2.584800      0.9783000    
 H    2.581800      -3.233700       2.591900    
 H    3.651700      -3.627600       1.245900    
 H    4.151400      -2.426000       2.438800    
 H   0.5298000      0.3873000     -0.5764000    
 H    5.325900      -3.056600      -1.714500    
 H   -1.772200     -0.3943000      4.2300001E-02
 H   -1.718700      0.5341000      -1.495900    
 H    1.578800       3.712500      -2.136200    
 H   -3.207600      -1.332700      -1.511100    
 H   -5.539200       1.206100       1.090500    
 H   -4.942000      -3.051000      -1.388000    
 H   -7.295300     -0.5398000       1.184700    
 H   -6.997100      -2.669400     -5.2600000E-02


%chk=000096439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096439

0 1
S 2.876077 -0.440375 1.944444
O 2.718868 -2.479549 -2.491042
O 0.910269 -1.024389 -2.472568
O 1.299994 3.328073 -0.623984
O 1.900637 4.467539 1.312598
O -0.822672 2.145990 3.218825
O -1.870661 0.005539 0.481021
N 2.122545 0.498321 -0.444353
N 0.157517 1.419057 1.217573
C 2.564133 -1.713435 0.513366
C 2.709917 -0.796853 -0.768082
C 2.562917 1.072823 0.823002
C 1.466843 2.014832 1.417914
C 1.152290 -2.310512 0.665852
C 3.663574 -2.787050 0.583712
C 1.993161 -1.398317 -1.975838
C 1.578017 3.402229 0.756783
C -0.862511 1.496013 2.131820
C -2.126522 0.717454 1.736991
C -2.927898 -0.686770 -0.142975
C -4.218513 -0.827843 0.419945
C -2.613584 -1.255207 -1.401908
C -5.202434 -1.549984 -0.296042
C -3.607424 -1.971435 -2.098218
C -4.906337 -2.123751 -1.551549
H 3.797112 -0.758631 -1.014654
H 3.527892 1.620790 0.779202
H 1.924060 1.158439 -1.203215
H 1.637707 2.178870 2.495805
H 0.369873 -1.544208 0.541846
H 0.987184 -3.112743 -0.080673
H 1.038262 -2.756780 1.668506
H 3.583945 -3.362519 1.522915
H 3.558936 -3.491035 -0.261875
H 4.669703 -2.335576 0.542166
H 0.043273 0.828006 0.382837
H 2.225936 -2.869317 -3.263725
H -2.961312 1.436730 1.621096
H -2.373507 0.011962 2.553920
H 1.345182 4.238999 -1.022489
H -4.464985 -0.393132 1.393673
H -1.606853 -1.119503 -1.812110
H -6.203266 -1.661295 0.136112
H -3.368229 -2.408512 -3.074109
H -5.674316 -2.680145 -2.098914


