%chk=000155397.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155397

0 1
 S   -1.643900     -0.8426000     -9.9999997E-05
 O   -1.967700      -1.484800      -1.261000    
 O   -1.967500      -1.486300       1.260100    
 N  -0.1035000       1.760900     -3.9999999E-04
 N   -2.265600      0.6594000      8.9999998E-04
 N    2.060700      0.7000000     -9.9999997E-05
 C   0.1104000     -0.6611000     -9.9999997E-05
 C   0.7034000      0.6013000     -1.9999999E-04
 C   0.8842000      -1.821000      9.9999997E-05
 C   -1.476700       1.681300      3.9999999E-04
 C   0.6033000       3.036400      1.9999999E-04
 C    2.264000      -1.708300      1.9999999E-04
 C    2.799100     -0.4354000      9.9999997E-05
 H   0.4246000      -2.804800      1.9999999E-04
 H   -1.951300       2.676500      1.0000000E-03
 H    1.231900       3.135000     -0.8920000    
 H    1.229800       3.135300      0.8938000    
 H  -9.3300000E-02   3.882100     -7.9999998E-04
 H    2.899600      -2.585800      3.9999999E-04
 H    3.873600     -0.2839000      1.9999999E-04


%chk=000155397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155397

0 1
S -1.760556 -0.966967 -0.000431
O -2.184300 -1.665042 -1.404278
O -2.184755 -1.667680 1.401952
N -0.073971 1.764360 0.000133
N -2.390152 0.832710 0.001052
N 2.048256 0.737208 0.000077
C 0.117141 -0.719793 0.000107
C 0.692697 0.575887 0.000070
C 0.930564 -1.862768 0.000362
C -1.466861 1.781341 0.000862
C 0.662345 3.055803 -0.000030
C 2.333177 -1.689927 0.000423
C 2.838089 -0.369477 0.000226
H 0.480717 -2.860328 0.000487
H -1.890591 2.796955 0.001381
H 1.303666 3.130392 -0.891877
H 1.303757 3.130609 0.891738
H -0.071050 3.877724 -0.000113
H 3.010532 -2.547447 0.000587
H 3.916395 -0.179359 0.000171


