%chk=000178485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178485

0 1
 S   -3.736300      0.8050000     -9.9999997E-05
 O   -4.348300      0.4253000      -1.269600    
 O   -4.370400      0.4396000       1.263200    
 N   -1.798300      -1.174700      6.9999998E-04
 N   -1.036000      0.9122000      5.0000002E-04
 N    1.811000       1.555700     -1.0000000E-03
 N    3.632000     -0.5740000      9.9999997E-05
 C  -0.4318000      -1.283000      1.1000000E-03
 C   2.2800000E-02  3.0999999E-02  8.9999998E-04
 C   -2.110700      0.1561000      6.0000003E-04
 C    1.411300      0.2654000      1.9999999E-04
 C   0.4225000      -2.382800      1.2000001E-03
 C    2.309100     -0.8160000      5.0000002E-04
 C   -2.738800      -2.271700      1.4000000E-03
 C    1.798500      -2.113600      1.1000000E-03
 C   -3.508200       2.573800     -7.9999998E-04
 C    4.032900      0.7151000     -6.0000003E-04
 C    3.139700       1.760500     -1.1000000E-03
 C    5.498900      0.9760000      1.5000000E-03
 H   5.9500001E-02  -3.404000      1.0000000E-03
 H   -3.336200      -2.214600     -0.9117000    
 H   -2.213700      -3.227700      3.1399999E-02
 H   -3.374800      -2.182700      0.8854000    
 H    2.487300      -2.957400      1.2000001E-03
 H   -2.967100       2.862700      0.9022000    
 H   -2.957200       2.860800     -0.8982000    
 H   -4.496100       3.039400     -6.8000001E-03
 H    3.456100       2.796700     -1.3000000E-03
 H    5.784200       1.540600      0.8948000    
 H    6.065000      3.8699999E-02 -6.0000003E-04
 H    5.786000       1.545500     -0.8880000    


%chk=000178485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178485

0 1
S -3.909543 0.770047 -0.001271
O -4.591963 0.294993 -1.408696
O -4.595356 0.299921 1.406205
N -1.827796 -1.193621 0.002931
N -1.068948 0.978582 0.002502
N 1.920346 1.673466 0.001663
N 3.708629 -0.581195 0.000404
C -0.424153 -1.260081 0.001339
C 0.029047 0.098380 0.001201
C -2.123622 0.164076 0.001710
C 1.433648 0.378624 0.000829
C 0.459112 -2.376184 0.000347
C 2.331871 -0.760814 0.000247
C -2.801644 -2.301585 0.001350
C 1.826392 -2.109464 -0.000122
C -3.651319 2.666630 -0.003840
C 4.173412 0.690425 0.001189
C 3.260382 1.806671 0.001805
C 5.667606 0.908278 0.001296
H 0.087808 -3.405203 -0.000462
H -3.417589 -2.260942 -0.912574
H -2.260676 -3.257864 0.037238
H -3.462183 -2.221130 0.880939
H 2.567304 -2.913973 -0.000871
H -3.089259 2.905501 0.907605
H -3.087742 2.903010 -0.914968
H -4.672318 3.072159 -0.005187
H 3.650742 2.831145 0.002029
H 5.989283 1.477662 0.893051
H 6.182762 -0.064202 -0.002491
H 5.988669 1.484588 -0.886198


