%chk=000178489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178489

0 1
 S   -3.732100       1.000400     -1.9999999E-04
 O   -4.344600      0.6227000      -1.269900    
 O   -4.366900      0.6360000       1.262900    
 N   -1.796800     -0.9837000      3.0000001E-04
 N   -1.032200       1.102300      6.9999998E-04
 N    1.815500       1.742700       0.000000    
 N    3.634100     -0.3890000      8.9999998E-04
 C  -0.4304000      -1.093600      8.9999998E-04
 C   2.5599999E-02  0.2200000      1.2000001E-03
 C   -2.107800      0.3474000      3.9999999E-04
 C   0.4226000      -2.194200      8.9999998E-04
 C    1.414400      0.4529000      6.9999998E-04
 C    2.311000     -0.6295000      1.0000000E-03
 C    1.798900      -1.926600      1.1000000E-03
 C   -2.750000      -2.070300     -7.9999998E-04
 C  -4.5699999E-02  -3.610700      1.8000000E-03
 C   -3.499200       2.768500     -9.9999997E-05
 C    4.036500      0.8997000      6.0000003E-04
 C    3.144400       1.946000      9.9999997E-05
 C    5.502700       1.159000     -2.6000000E-03
 H    2.502100      -2.759400      1.5000000E-03
 H   -2.593300      -2.671600      0.8973000    
 H   -2.603400      -2.660100     -0.9081000    
 H   -3.774900      -1.700600      8.2999999E-03
 H  -0.6295000      -3.824500      0.9015000    
 H   0.7954000      -4.313000     -5.7999999E-03
 H  -0.6425000      -3.821900     -0.8900000    
 H   -2.957400       3.055600      0.9029000    
 H   -4.485800       3.236700     -6.0000001E-03
 H   -2.947400       3.054500     -0.8974000    
 H    3.462000       2.982000     -1.1000000E-03
 H    5.788400       1.721200     -0.8972000    
 H    6.067800      0.2211000      1.5000000E-03
 H    5.790700       1.730300      0.8855000    


%chk=000178489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178489

0 1
S -3.883404 1.003263 -0.156839
O -4.435883 0.745956 -1.672892
O -4.727154 0.383196 1.106888
N -1.843223 -1.022805 0.007328
N -1.065784 1.140707 -0.065695
N 1.893528 1.856982 -0.052907
N 3.704279 -0.381263 0.006395
C -0.431411 -1.104524 0.016845
C 0.023259 0.255277 -0.023445
C -2.126619 0.337446 -0.044459
C 0.464798 -2.227823 0.050919
C 1.423753 0.557134 -0.022085
C 2.328768 -0.571743 0.009362
C 1.826902 -1.917429 0.042063
C -2.849630 -2.104347 -0.008518
C 0.006712 -3.673230 0.098627
C -3.582897 2.872433 0.115359
C 4.155782 0.895172 -0.025403
C 3.233703 2.002680 -0.053748
C 5.648362 1.127546 -0.030595
H 2.573451 -2.717953 0.060924
H -2.550870 -2.905623 0.681342
H -2.969677 -2.511326 -1.026554
H -3.812932 -1.694392 0.337433
H -0.492178 -3.914124 1.056388
H 0.870901 -4.349931 0.000653
H -0.700872 -3.913850 -0.715049
H -3.198944 2.979609 1.137755
H -4.576356 3.321233 -0.023895
H -2.850444 3.185344 -0.639115
H 3.614266 3.030641 -0.077735
H 5.965341 1.677053 -0.936639
H 6.172668 0.160053 -0.002241
H 5.964003 1.728936 0.842330


