%chk=000158861.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158861

0 1
 S   -1.293300       1.185800      4.1000000E-03
 O   -1.802000       1.733100      -1.243600    
 O   -1.800300       1.721400       1.257500    
 O  -0.8613000      -2.694900     -3.1999999E-03
 N   -1.657600     -0.5009000     -3.7000000E-03
 N   0.6918000      -1.009300     -3.1000001E-03
 N   0.3263000       1.357200      3.8000001E-03
 C    2.589400      0.5103000      5.1000002E-03
 C    1.097100      0.3183000     -5.2000000E-03
 C    3.188700     -0.1158000       1.257900    
 C    3.214000     -7.6899998E-02  -1.255300    
 C  -0.6165000      -1.489600     -3.1999999E-03
 C   -3.076300     -0.9385000     -1.1200000E-02
 H    2.793600       1.588400      2.3499999E-02
 H    1.409900      -1.727900     -6.8000001E-03
 H    3.120400      -1.208700       1.255800    
 H    2.679700      0.2462000       2.158100    
 H    4.248900      0.1455000       1.344600    
 H    2.731000      0.3253000      -2.152700    
 H    3.128000      -1.167800      -1.295100    
 H    4.279400      0.1722000      -1.306300    
 H   -3.284300      -1.537500      0.8800000    
 H   -3.277100      -1.530100     -0.9088000    
 H   -3.751400     -7.8100003E-02 -1.0200000E-02


%chk=000158861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158861

0 1
S -1.422613 1.334902 0.012681
O -2.023216 1.912766 -1.363062
O -2.021291 1.880531 1.402399
O -0.858484 -2.752722 -0.029446
N -1.704523 -0.583911 -0.009558
N 0.655449 -0.989070 -0.009791
N 0.452243 1.454239 0.012641
C 2.655252 0.482595 0.007733
C 1.129771 0.310406 0.001975
C 3.275585 -0.121085 1.295118
C 3.284330 -0.104546 -1.282872
C -0.683676 -1.501889 -0.016888
C -3.114257 -1.014059 -0.016852
H 2.820030 1.574017 0.015504
H 1.347174 -1.744393 -0.016263
H 3.169171 -1.221922 1.334841
H 2.813465 0.303278 2.203207
H 4.355651 0.106882 1.321165
H 2.827447 0.329991 -2.188817
H 3.180020 -1.205006 -1.336492
H 4.364172 0.125211 -1.299249
H -3.333993 -1.624548 0.875168
H -3.330826 -1.604478 -0.923052
H -3.758782 -0.119490 -0.008091


