%chk=000002270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002270

-1 1
 S   -3.691100      0.6281000       1.893600    
 O   -3.571900      -2.345500      -1.321800    
 O   -4.494300       2.631700     -0.6105000    
 O   -5.961600       1.733400      -2.118800    
 O   0.3895000     -0.2836000       1.614300    
 O    3.439500      0.6444000      -2.114100    
 O    3.403700       2.280300       1.890400    
 N   -3.615900     -9.2900001E-02 -0.6238000    
 N  -0.6994000      -1.116400     -0.2574000    
 N    2.518500      0.3652000     -1.4600000E-02
 N    4.046300       2.104800     -0.4064000    
 N    4.951100       3.734800      0.9130000    
 C   -2.664700      0.3143000      0.4091000    
 C   -5.302700      0.3064000       1.018400    
 C   -4.994800      0.3334000     -0.4992000    
 C   -2.049300      -1.091000      0.2990000    
 C   -3.159200      -1.372300     -0.7330000    
 C   -5.794700      -1.084000       1.456600    
 C   -6.325900       1.355500       1.468300    
 C   -5.166000       1.702400      -1.138300    
 C   0.4260000     -0.7035000      0.4591000    
 C    1.708500     -0.7792000     -0.3594000    
 C    2.441100      -2.081800     -0.1376000    
 C    3.338900       1.002300     -0.9382000    
 C    3.391500      -2.183200      0.8785000    
 C    2.166900      -3.183400     -0.9483000    
 C    4.879000       2.927100      -1.270800    
 C    5.635700       3.854600     -0.3428000    
 C    4.050700       2.656500      0.9216000    
 C    4.067800      -3.385600       1.083600    
 C    2.843100      -4.385900     -0.7431000    
 C    3.793700      -4.487000      0.2729000    
 H   -2.035500       1.153200      9.6299998E-02
 H   -5.629000     -0.3920000      -1.024900    
 H   -2.132500      -1.727600       1.187300    
 H   -5.977000      -1.126800       2.537100    
 H   -6.741000      -1.329000      0.9597000    
 H   -5.084600      -1.880100       1.210400    
 H   -6.589200       1.223500       2.525200    
 H   -5.973300       2.385900       1.362800    
 H   -7.254700       1.258500      0.8942000    
 H  -0.5578000      -1.453200      -1.206800    
 H    1.460100     -0.6887000      -1.424600    
 H    2.500200      0.7009000      0.9430000    
 H    3.616900      -1.348700       1.536400    
 H    1.428400      -3.118100      -1.742800    
 H    4.215400       3.483300      -1.942700    
 H    5.539200       2.304700      -1.883100    
 H    6.669100       3.526400     -0.1953000    
 H    5.629000       4.894800     -0.6782000    
 H    5.158200       4.298200       1.731600    
 H    4.805400      -3.465800       1.876700    
 H    2.629500      -5.243800      -1.374000    
 H    4.319600      -5.423600      0.4333000    


%chk=000002270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002270

-1 1
S -4.563780 1.557577 0.509869
O -2.278653 -2.222082 1.769913
O -5.005484 -0.900878 -2.203962
O -6.791887 -2.132245 -1.300443
O 0.595468 1.274152 1.414046
O 4.023914 1.129713 -1.976983
O 4.224004 2.217738 2.195972
N -3.719214 -0.967330 0.247290
N -0.680038 0.043486 -0.108619
N 2.880935 0.974634 0.065461
N 4.989837 2.050044 -0.071285
N 6.298005 3.088785 1.432972
C -3.253093 0.359859 -0.195317
C -5.793326 0.071575 0.921079
C -5.157947 -1.210170 0.226374
C -1.934191 0.120866 0.624391
C -2.604347 -1.255248 1.041291
C -5.810635 -0.101295 2.456512
C -7.184595 0.429303 0.373077
C -5.697222 -1.444670 -1.251668
C 0.498967 0.577964 0.356425
C 1.741045 0.250962 -0.517134
C 1.989872 -1.265384 -0.636716
C 3.930420 1.353315 -0.725728
C 1.673644 -2.153715 0.422912
C 2.567734 -1.781563 -1.824180
C 6.128793 2.564342 -0.864297
C 7.145571 3.014624 0.231764
C 5.077915 2.429566 1.290599
C 1.931710 -3.535798 0.295108
C 2.827487 -3.164727 -1.950206
C 2.509740 -4.045902 -0.890809
H -3.205237 0.480511 -1.285625
H -5.405492 -2.097850 0.833798
H -1.802218 0.804612 1.476575
H -6.078378 0.845844 2.959313
H -6.560743 -0.868325 2.735960
H -4.824105 -0.423064 2.835325
H -7.608453 1.291438 0.922509
H -7.130384 0.672364 -0.699683
H -7.855958 -0.442820 0.477051
H -0.649883 -0.570603 -0.927321
H 1.580324 0.648183 -1.539353
H 2.807716 1.289057 1.049112
H 1.204577 -1.775313 1.338544
H 2.831635 -1.088378 -2.630637
H 5.800895 3.409387 -1.496554
H 6.525167 1.779185 -1.525660
H 7.958739 2.271262 0.355107
H 7.597658 3.991200 -0.014192
H 6.619169 3.376097 2.354376
H 1.662426 -4.213767 1.112444
H 3.270250 -3.553439 -2.874645
H 2.698047 -5.121177 -0.992253


