%chk=000166204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166204

0 1
 S   0.5301000       4.070600      0.1051000    
 O  -0.7622000      -2.547000      9.6000005E-03
 O   -4.230100       1.515500     -0.1071000    
 O   0.1217000       4.651500       1.575700    
 O    1.980200       3.978900      6.8000004E-02
 O  -0.1968000       4.825300     -0.9009000    
 N    1.307600     -0.9598000      0.1048000    
 N   -2.357000       3.299200     -1.8700000E-02
 C    3.509300      -1.929300      0.7237000    
 C    2.733600     -0.7028000      0.1651000    
 C    5.031000      -1.629500      0.6688000    
 C    5.524300      -1.194200     -0.7205000    
 C    3.220500     -0.2674000      -1.222000    
 C    4.721200      5.9000002E-03  -1.232500    
 C    3.123200      -2.169400       2.199600    
 C    3.204300      -3.225300     -5.9000000E-02
 C    7.015800     -0.8604000     -0.6785000    
 C   0.3533000      3.9500002E-02  7.2400004E-02
 C   -1.043800     -0.1936000      1.3500000E-02
 C   0.7948000       1.378200      9.9200003E-02
 C   -1.949500      0.8689000     -1.6799999E-02
 C  -0.1089000       2.438400      6.8999998E-02
 C   -1.480100       2.187500      1.1000000E-02
 C   -1.525500      -1.589700     -1.6000001E-02
 C   -3.403100      0.6128000     -7.9099998E-02
 C   -2.978900      -1.845800     -7.9000004E-02
 C   -3.884600     -0.7833000     -0.1094000    
 C   -3.448300      -3.164500     -0.1089000    
 C   -5.259700      -1.039600     -0.1695000    
 C   -4.819400      -3.415400     -0.1687000    
 C   -5.723100      -2.355300     -0.1989000    
 H    2.942600      0.1031000      0.8813000    
 H    5.597100      -2.511800      0.9960000    
 H    5.265900     -0.8341000       1.390300    
 H    5.393700      -2.027300      -1.422000    
 H    2.709600      0.6303000      -1.583500    
 H    2.990200      -1.042400      -1.964100    
 H    5.035600      0.2558000      -2.253000    
 H    4.929500      0.8880000     -0.6132000    
 H    3.317800      -1.281300       2.811300    
 H    2.061500      -2.418700       2.303600    
 H    3.699200      -2.998300       2.626800    
 H    3.346500      -3.108300      -1.136700    
 H    3.866000      -4.036600      0.2678000    
 H    2.180600      -3.576800      0.1049000    
 H   0.9925000      -1.909500     -3.7799999E-02
 H    7.378100     -0.5776000      -1.672500    
 H    7.220000     -2.9600000E-02  5.4000001E-03
 H    7.597700      -1.725700     -0.3437000    
 H    1.846500       1.623700      0.1663000    
 H   -2.007900       4.245300      3.4200002E-02
 H   -3.356800       3.160400     -5.8800001E-02
 H   -2.766200      -4.010100     -8.6499996E-02
 H   -5.987000     -0.2326000     -0.1943000    
 H   -5.182800      -4.438700     -0.1917000    
 H   -6.790100      -2.553300     -0.2454000    
 H   0.5038000       4.165300       2.343800    


%chk=000166204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166204

0 1
S 0.489914 4.242194 0.247556
O -0.626295 -2.551478 -0.038664
O -4.373596 1.519607 -0.098666
O 0.349814 4.353500 2.095961
O 2.051627 4.258611 -0.163901
O -0.523079 5.345019 -0.390446
N 1.308826 -0.861548 0.065424
N -2.522683 3.310417 -0.014753
C 3.474432 -1.934963 0.706670
C 2.771722 -0.676498 0.084533
C 5.013726 -1.678288 0.667245
C 5.586703 -1.337228 -0.730825
C 3.312334 -0.327029 -1.331594
C 4.840878 -0.110802 -1.311533
C 3.039340 -2.091748 2.187984
C 3.122101 -3.242160 -0.057299
C 7.109330 -1.093919 -0.661416
C 0.366357 0.132466 0.054153
C -1.050910 -0.166245 0.005525
C 0.759009 1.511805 0.113645
C -2.027711 0.896684 -0.014012
C -0.200355 2.507115 0.101401
C -1.621559 2.285660 0.030121
C -1.481388 -1.571241 -0.042424
C -3.469460 0.591505 -0.077857
C -2.928257 -1.877021 -0.101015
C -3.891679 -0.829357 -0.119519
C -3.357970 -3.229099 -0.140593
C -5.273980 -1.145113 -0.177486
C -4.729996 -3.533698 -0.197561
C -5.691635 -2.487881 -0.216238
H 3.015175 0.173187 0.759669
H 5.527066 -2.571732 1.076515
H 5.252216 -0.837210 1.354303
H 5.406836 -2.199841 -1.406712
H 2.802693 0.582000 -1.705425
H 3.049712 -1.142959 -2.032015
H 5.202127 0.106022 -2.335490
H 5.082498 0.780814 -0.694197
H 3.281294 -1.183691 2.772851
H 1.953480 -2.275374 2.277372
H 3.567156 -2.944361 2.654557
H 3.332591 -3.176526 -1.138736
H 3.722931 -4.077442 0.347940
H 2.059659 -3.522826 0.063680
H 0.889348 -1.816143 0.009328
H 7.524525 -0.860208 -1.659613
H 7.341643 -0.242486 0.007474
H 7.641656 -1.982197 -0.272748
H 1.814540 1.793156 0.162665
H -2.200504 4.281629 -0.086922
H -3.517997 3.021237 -0.058906
H -2.595036 -4.012912 -0.125701
H -5.990677 -0.318704 -0.190680
H -5.058621 -4.578075 -0.227858
H -6.759266 -2.728144 -0.261270
H 0.612894 5.282619 2.364000


