%chk=000039442.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039442

0 1
 S  -0.1090000     -0.2037000      0.8422000    
 N    2.748500      0.2908000     -0.1676000    
 N    4.688900       1.412800      0.4155000    
 N    4.883400     -0.8057000     -6.9300003E-02
 C   0.6278000     -0.7497000     -0.7242000    
 C    2.123300     -0.9736000     -0.5659000    
 C   -1.823400     -1.8400000E-02  0.3911000    
 C   -2.699000      -1.096600      0.5194000    
 C   -2.289400       1.205000     -8.9900002E-02
 C   -4.040700     -0.9513000      0.1666000    
 C   -3.631100       1.350400     -0.4426000    
 C   -4.506700      0.2722000     -0.3143000    
 C    4.027400      0.2677000      3.9000001E-02
 H   0.4383000      1.2800000E-02  -1.487600    
 H   0.1464000      -1.679500      -1.044000    
 H    2.529600      -1.309100      -1.527700    
 H    2.307300      -1.757400      0.1798000    
 H   -2.354000      -2.058000      0.8920000    
 H   -1.621800       2.056500     -0.1972000    
 H   -4.722600      -1.790800      0.2662000    
 H   -3.994200       2.302900     -0.8173000    
 H   -5.551300      0.3854000     -0.5890000    
 H    4.192000       2.288400      0.5377000    
 H    5.689100       1.417000      0.5829000    
 H    5.874900     -0.7043000      0.1193000    
 H    4.562800      -1.728100     -0.3411000    


%chk=000039442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039442

0 1
S 0.170442 1.377607 -1.544073
N 3.012004 -0.352060 -0.847922
N 4.087202 0.825429 0.859300
N 1.971800 -0.056708 1.352284
C 1.083872 -0.040151 -2.409844
C 1.838726 -0.989639 -1.454285
C -1.108336 0.501646 -0.559081
C -1.610652 -0.785686 -0.876002
C -1.638097 1.199750 0.559065
C -2.625958 -1.365201 -0.080344
C -2.662821 0.620368 1.339224
C -3.159138 -0.668095 1.027981
C 2.982090 0.101711 0.386483
H 1.809113 0.488164 -3.051760
H 0.369335 -0.582153 -3.054145
H 2.205465 -1.831456 -2.077559
H 1.110043 -1.439861 -0.739186
H -1.233042 -1.334638 -1.744562
H -1.250805 2.193850 0.810145
H -3.004663 -2.361187 -0.336651
H -3.067745 1.174822 2.193421
H -3.949347 -1.119082 1.637632
H 4.835241 0.953019 0.180090
H 4.340533 0.771047 1.844438
H 1.897045 0.643579 2.088874
H 1.094193 -0.489376 1.070478


