%chk=000122272.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122272

0 1
 S    1.400200       2.349700     -0.1199000    
 O    2.225000       2.802900      0.9894000    
 O   0.8248000       3.331100      -1.025500    
 O    3.116600     -8.7700002E-02  0.9567000    
 N   -4.050200      -1.190800      0.1959000    
 N    2.289200       1.179500      -1.014300    
 N    3.439600      -1.399500       1.282100    
 C  -0.9487000      0.8639000     -0.2230000    
 C   9.1200002E-02   1.393100      0.5586000    
 C   -1.966400      0.1048000      0.4022000    
 C   -3.006400     -0.4247000     -0.3791000    
 C   -1.000800       1.071100      -1.611100    
 C   0.1272000       1.177500       1.936600    
 C   -1.914300     -0.1029000       1.790200    
 C   -3.042600     -0.2087000      -1.756900    
 C  -0.8735000      0.4306000       2.551200    
 C   -2.041700      0.5378000      -2.371700    
 C    2.700800     -2.3600001E-02 -0.3422000    
 C    2.745700      -1.289600     -0.8842000    
 C   -3.921000      -2.626700      0.3103000    
 C   -5.245800     -0.5402000      0.6849000    
 C    3.210100      -2.098700      0.1670000    
 C    2.388100      -1.697900      -2.253400    
 C    3.452800      -3.551100      0.1564000    
 H  -0.2462000       1.611300      -2.168400    
 H   0.9188000       1.570200       2.567000    
 H   -2.671700     -0.6818000       2.312600    
 H   -3.846700     -0.6195000      -2.362600    
 H    2.090300       1.091900      -2.018400    
 H  -0.8443000      0.2612000       3.623700    
 H   -2.067200      0.6987000      -3.445600    
 H   -4.653400      -3.046000       1.008400    
 H   -4.075000      -3.099900     -0.6651000    
 H   -2.927100      -2.907600      0.6755000    
 H   -6.039100      -1.262000      0.9068000    
 H   -5.035200      1.9099999E-02   1.602100    
 H   -5.642700      0.1577000     -6.0600001E-02
 H    1.347300      -1.437600      -2.472900    
 H    3.028700      -1.194200      -2.984700    
 H    2.498200      -2.776400      -2.401800    
 H    4.196600      -3.811200     -0.6038000    
 H    3.824200      -3.910300       1.122100    
 H    2.528500      -4.093400     -6.7699999E-02


%chk=000122272-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122272

0 1
S 1.266948 1.297978 -0.418518
O 2.220333 2.436306 0.270072
O 0.990338 1.326354 -2.024612
O 1.570562 -2.087750 -1.614524
N -4.726984 -0.687315 1.770153
N 2.248175 -0.508488 0.014638
N 2.112576 -2.785185 -2.773040
C -1.393095 0.314869 0.224336
C -0.336188 1.213452 0.584713
C -2.549432 0.317152 1.112846
C -3.639877 -0.612271 0.857049
C -1.384388 -0.525645 -0.932871
C -0.366078 2.093235 1.661802
C -2.610125 1.272461 2.177091
C -3.609011 -1.382255 -0.321701
C -1.551852 2.143574 2.449951
C -2.494556 -1.327853 -1.204085
C 2.574654 -1.222064 -1.114432
C 3.723778 -1.342998 -1.913719
C -4.460092 -1.087464 3.172338
C -6.019062 -1.186931 1.274306
C 3.390404 -2.332503 -2.902371
C 5.012732 -0.585751 -1.777339
C 4.249539 -2.855057 -4.018085
H -0.528149 -0.531746 -1.610164
H 0.488309 2.747743 1.861595
H -3.533659 1.343284 2.758976
H -4.429024 -2.070407 -0.547263
H 3.080326 -0.090259 0.475540
H -1.630089 2.877531 3.257821
H -2.492060 -1.960945 -2.097705
H -5.159996 -0.578350 3.861541
H -4.583283 -2.186184 3.302754
H -3.431033 -0.830894 3.463018
H -6.809985 -0.898367 1.990012
H -6.253666 -0.730219 0.298698
H -6.051352 -2.296294 1.165917
H 4.923194 0.241983 -1.051460
H 5.841193 -1.240797 -1.446191
H 5.313326 -0.142096 -2.744207
H 5.150496 -3.359625 -3.623781
H 3.682985 -3.577575 -4.627401
H 4.587068 -2.032531 -4.674894


