%chk=000088222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088222

0 1
 S   -5.424500      0.8272000       1.112500    
 O   -9.141700       1.031400      4.3000001E-02
 O   -8.106300       1.676000       1.873400    
 N    2.808100      -1.212900      2.3399999E-02
 N   -2.667800     -0.6507000     -0.9985000    
 N   -3.233500     -0.1005000     -2.4700001E-02
 N    4.343000      -5.765100      0.8015000    
 N   -5.279900     -0.2668000      -1.225100    
 N   -8.083900       1.147300      0.7252000    
 C    3.753300     -0.1882000     -0.3560000    
 C    3.794200      0.9296000      0.6955000    
 C    3.312400      -2.422200      0.6751000    
 C    1.437500      -1.072400     -0.2321000    
 C    4.777100       2.008000      0.3865000    
 C    3.449600      -3.563200     -0.3276000    
 C   0.5429000      -2.085000      0.1330000    
 C   0.9496000      8.2000002E-02 -0.8550000    
 C    6.089300       1.909200      0.8494000    
 C    4.384400       3.115200     -0.3657000    
 C  -0.8213000      -1.945100     -0.1216000    
 C  -0.4147000      0.2218000      -1.109500    
 C   -1.300100     -0.7917000     -0.7428000    
 C    7.008700       2.917600      0.5605000    
 C    5.303900       4.123500     -0.6546000    
 C    6.616100       4.024700     -0.1915000    
 C    3.949000      -4.793300      0.3046000    
 C   -4.575200      8.1100002E-02 -0.1753000    
 C   -6.871300      0.6832000      0.2029000    
 C   -6.599000      7.9200000E-02  -1.006600    
 H    3.563400      0.2031000      -1.363100    
 H    4.758000     -0.6267000     -0.4350000    
 H    2.802600       1.378400      0.8321000    
 H    4.032200      0.4950000       1.676500    
 H    2.707000      -2.702100       1.546300    
 H    4.302900      -2.215300       1.104900    
 H    2.499000      -3.782300     -0.8243000    
 H    4.142100      -3.264700      -1.124700    
 H   0.8466000      -3.003700      0.6225000    
 H    1.586000      0.9047000      -1.163100    
 H    6.408300       1.050500       1.434300    
 H    3.365600       3.202600     -0.7340000    
 H   -1.504200      -2.739700      0.1678000    
 H  -0.7789000       1.123900      -1.594500    
 H    8.030500       2.840300      0.9203000    
 H    4.998600       4.985400      -1.240700    
 H    7.332000       4.809600     -0.4169000    
 H   -7.327000     -0.1373000      -1.777700    


%chk=000088222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088222

0 1
S -5.502641 1.849915 -0.596636
O -9.425719 1.038128 -0.439495
O -8.284033 2.997665 -0.825611
N 2.847533 -1.283266 0.043437
N -2.807571 -0.986560 0.016283
N -3.371153 0.188950 -0.260089
N 4.957776 -5.730989 -0.082273
N -5.647943 -0.803094 -0.064032
N -8.332541 1.724887 -0.573777
C 3.718784 -0.131349 -0.284174
C 3.990992 0.802456 0.935167
C 3.528528 -2.531459 0.422656
C 1.457709 -1.185712 0.032511
C 4.892521 1.962873 0.542275
C 3.667577 -3.510356 -0.789725
C 0.623442 -2.320892 0.319766
C 0.806101 0.064640 -0.270891
C 6.304577 1.829049 0.581831
C 4.339359 3.185534 0.081598
C -0.768414 -2.205583 0.304293
C -0.582242 0.171021 -0.290414
C -1.405441 -0.965340 -0.000909
C 7.143862 2.888745 0.170947
C 5.174752 4.247990 -0.330753
C 6.580641 4.101729 -0.288976
C 4.376963 -4.743270 -0.415106
C -4.754225 0.186366 -0.259265
C -7.086669 1.022677 -0.432458
C -6.940256 -0.343413 -0.158611
H 3.282874 0.451755 -1.114165
H 4.683214 -0.524075 -0.655237
H 3.024342 1.172157 1.323421
H 4.456473 0.201913 1.739797
H 2.998216 -3.031953 1.250812
H 4.535870 -2.281525 0.797447
H 2.667321 -3.767976 -1.183568
H 4.218202 -3.010440 -1.608613
H 1.061859 -3.294124 0.555207
H 1.402238 0.955314 -0.484877
H 6.750101 0.895763 0.950133
H 3.249227 3.313156 0.060184
H -1.407882 -3.066865 0.522686
H -1.070840 1.122894 -0.519620
H 8.232471 2.772437 0.214756
H 4.731909 5.188435 -0.676967
H 7.229794 4.925826 -0.604403
H -7.783057 -1.022432 -0.023959


