%chk=000227016.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227016

0 1
 S   -1.466400      -3.122500      0.4347000    
 O   -2.250800      -4.155500     -0.2137000    
 O   -1.194900      -3.191400       1.857800    
 O    5.764100       2.251800      0.4631000    
 O   -3.465500       3.428000       1.113000    
 N   4.1999999E-03  -2.924100     -0.4010000    
 N   -4.162900       2.044000     -0.6637000    
 N   0.8477000      -1.827300      4.1499998E-02
 C   -2.270800      -1.582000      0.1076000    
 C   -2.077500     -0.5219000      0.9755000    
 C   -3.077900      -1.466600      -1.010300    
 C   -3.529200      0.8285000     -0.4050000    
 C   -2.711900      0.6933000      0.7171000    
 C   -3.712200     -0.2514000      -1.268800    
 C    2.957500     -0.7024000     -0.3271000    
 C    1.973900      -1.737000     -0.6055000    
 C    4.145800     -0.6567000      -1.055900    
 C    2.712600      0.2443000      0.6677000    
 C    4.844400       1.282400      0.2047000    
 C    5.089300      0.3357000     -0.7899000    
 C    3.656000       1.236700      0.9335000    
 C   -4.099200       3.229000      8.1600003E-02
 C   -4.932700       4.323700     -0.5361000    
 C    6.956300       2.241300     -0.3206000    
 H   -1.440100     -0.6070000       1.850300    
 H   -3.226500      -2.292500      -1.698900    
 H   -2.520900       1.483400       1.429700    
 H   -4.344800     -0.1595000      -2.148200    
 H   0.1092000      -3.259800      -1.365900    
 H   -4.741700       2.062300      -1.500900    
 H    2.217800      -2.460600      -1.404600    
 H    4.349900      -1.387800      -1.834100    
 H    1.795500      0.2336000       1.250900    
 H    5.990300      0.3131000      -1.393400    
 H    3.459700       1.971900       1.709200    
 H   -4.551500       4.559600      -1.533600    
 H   -4.883700       5.222200      8.5199997E-02
 H   -5.974800       4.000400     -0.6096000    
 H    6.742100       2.410500      -1.381400    
 H    7.538700       1.328600     -0.1551000    
 H    7.573400       3.079900      1.8400000E-02


%chk=000227016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227016

0 1
S -1.349119 -2.880866 0.444077
O -2.144760 -4.177710 -0.138008
O -0.769080 -2.829822 1.963740
O 6.116156 2.152855 0.420792
O -3.959069 3.622386 1.054596
N 0.067459 -2.655355 -0.894420
N -4.699969 2.080453 -0.555597
N 0.989147 -1.718464 -0.502821
C -2.355360 -1.336513 0.144724
C -2.141587 -0.223881 0.972307
C -3.306779 -1.359173 -0.888741
C -3.884303 0.951252 -0.280313
C -2.914396 0.936106 0.761162
C -4.076304 -0.201367 -1.095476
C 3.241041 -0.799507 -0.566955
C 2.249906 -1.824756 -0.888564
C 4.581205 -0.960279 -1.009164
C 2.910305 0.364352 0.193023
C 5.225468 1.138041 0.054421
C 5.574883 -0.006593 -0.705716
C 3.886580 1.318304 0.500741
C -4.717034 3.326859 0.087231
C -5.734899 4.315518 -0.474907
C 7.513590 2.021322 -0.002843
H -1.398449 -0.269277 1.774305
H -3.448262 -2.258377 -1.495840
H -2.781786 1.823902 1.380957
H -4.829743 -0.190914 -1.892670
H 0.398484 -3.631378 -1.092942
H -5.361739 1.964908 -1.326342
H 2.596102 -2.684155 -1.497722
H 4.852966 -1.845939 -1.597242
H 1.877355 0.493561 0.530086
H 6.598357 -0.161771 -1.059050
H 3.648512 2.213198 1.083602
H -5.204827 5.225295 -0.805091
H -6.424256 4.615921 0.332758
H -6.326827 3.922436 -1.319509
H 7.598888 2.007187 -1.106647
H 7.975932 1.108134 0.419096
H 8.018711 2.912305 0.397163


