%chk=000119116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119116

0 1
 S   -2.771200     -3.9400000E-02 -8.2000000E-03
 P    7.026000       3.055500      0.4414000    
 O    4.319100     -0.3315000      0.6275000    
 O    4.662400      -3.368900     -0.3474000    
 O    5.933000      -1.834900      -2.208800    
 O    6.414600       1.560300      0.5521000    
 O    8.176600       2.893200     -0.6830000    
 O    5.870500       3.886700     -0.3261000    
 O    7.488100       3.648800       1.740100    
 O   -9.718500       1.405100      -1.630100    
 O   -9.619300       2.408500      0.3199000    
 N    2.062000     -0.9299000      0.2003000    
 N   0.4153000      0.4416000     -0.4207000    
 N   0.7563000      -2.722700       1.191900    
 N   -1.635200      -2.250500       1.072200    
 N   -9.142000       1.626400     -0.5377000    
 C    3.958100      -2.218200     -0.8113000    
 C    4.899600      -1.224800      -1.465700    
 C    3.421900      -1.437400      0.3899000    
 C    5.432900     -0.4512000     -0.2724000    
 C    5.955300      0.9287000     -0.6302000    
 C   0.8974000      -1.539900      0.5749000    
 C    1.718800      0.2575000     -0.3929000    
 C  -0.1105000     -0.6743000      0.1808000    
 C   -1.417700      -1.066600      0.4504000    
 C  -0.5507000      -2.994000       1.399400    
 C   -4.205200      -1.003600      0.5622000    
 C   -5.507300     -0.3093000      0.2723000    
 C   -6.155400     -0.5456000     -0.9328000    
 C   -6.045400      0.5588000       1.213200    
 C   -7.363500      9.7800002E-02  -1.201800    
 C   -7.253500       1.202100      0.9441000    
 C   -7.912500      0.9717000     -0.2634000    
 H    3.185000      -2.570700      -1.501500    
 H    4.323600     -0.5662000      -2.127500    
 H    3.407500      -2.040700       1.305000    
 H    6.218400      -1.012300      0.2503000    
 H    6.776000      0.8541000      -1.349600    
 H    5.153200       1.536700      -1.060800    
 H    4.016200      -3.945400      9.5200002E-02
 H    6.504100      -1.129500      -2.556600    
 H    2.452800      0.9456000     -0.7896000    
 H  -0.7621000      -3.935200       1.895600    
 H   -4.116800      -1.183200       1.640400    
 H   -4.197700      -1.987500      7.7900000E-02
 H    8.767000       3.653500     -0.8711000    
 H    5.984500       4.852800     -0.4512000    
 H   -5.736200      -1.223600      -1.671100    
 H   -5.539900      0.7462000       2.156500    
 H   -7.848600     -0.1056000      -2.153000    
 H   -7.651200       1.876400       1.698300    


%chk=000119116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119116

0 1
S -2.327494 1.079879 2.033640
P 6.250688 2.426822 0.484361
O 4.620111 -0.405747 0.301771
O 4.404797 -3.259789 -0.579065
O 4.435722 -1.936022 -2.956595
O 6.158500 1.816936 -1.148566
O 4.581976 2.872988 0.767107
O 6.435840 1.071957 1.479386
O 7.310335 3.575614 0.666063
O -6.903224 -0.342911 -3.640922
O -8.032959 1.438420 -2.772406
N 2.285862 -0.555624 0.828227
N 0.933653 1.209542 1.418871
N 0.584752 -2.372520 0.830465
N -1.642708 -1.537463 1.412304
N -7.139942 0.508093 -2.697799
C 3.408666 -2.206409 -0.699726
C 3.832949 -1.219373 -1.829617
C 3.521544 -1.339697 0.569127
C 4.937156 -0.364786 -1.168585
C 4.977494 1.086990 -1.647289
C 0.998511 -1.083919 0.988018
C 2.186829 0.827562 1.114669
C 0.174693 0.030271 1.348905
C -1.199877 -0.256331 1.559076
C -0.749963 -2.519296 1.065730
C -3.984881 0.120393 2.158032
C -4.807586 0.227098 0.898223
C -4.600518 -0.690069 -0.168330
C -5.801009 1.233334 0.760805
C -5.360290 -0.605114 -1.348801
C -6.570876 1.334732 -0.413593
C -6.336437 0.410843 -1.455147
H 2.394595 -2.625597 -0.826796
H 2.971781 -0.600210 -2.150181
H 3.787020 -1.947250 1.449416
H 5.919679 -0.849359 -1.307366
H 5.106417 1.096894 -2.743670
H 4.049364 1.622792 -1.371055
H 4.778152 -3.419923 -1.489254
H 3.754652 -2.139292 -3.645062
H 3.049315 1.496239 1.074293
H -1.156792 -3.529158 0.966233
H -4.480356 0.576270 3.028982
H -3.693038 -0.918834 2.377835
H 4.451672 3.825060 1.006654
H 5.784256 0.322291 1.253142
H -3.834071 -1.463797 -0.055975
H -5.970055 1.942493 1.579019
H -5.219598 -1.301614 -2.179413
H -7.339505 2.101991 -0.537838


