%chk=000036602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036602

0 1
 S  -6.6699997E-02  -2.590800     -0.8300000    
 S  -6.8099998E-02   2.590600      0.8311000    
 N  -5.4200001E-02 -9.9999997E-05 -9.9999997E-05
 N   -2.012500      -1.271500      0.5952000    
 N   -2.012700       1.271300     -0.5954000    
 C    1.403800     -1.9999999E-04  9.9999997E-05
 C  -0.7474000      -1.246300     -4.1400000E-02
 C  -0.7478000       1.246000      4.1499998E-02
 C    2.038500      3.9500002E-02  -1.207300    
 C    2.038600     -3.9600000E-02   1.207500    
 C   -3.102500      -2.145200      0.1557000    
 C   -2.282200     -0.5522000       1.840500    
 C   -3.103000       2.144500     -0.1557000    
 C   -2.281600      0.5528000      -1.841300    
 C    3.433400      3.9799999E-02  -1.207300    
 C    3.433500     -3.9099999E-02   1.207200    
 C    4.130900      5.0000002E-04 -9.9999997E-05
 H    1.499500      8.2300000E-02  -2.148300    
 H    1.499700     -8.2500003E-02   2.148500    
 H   -4.045200      -1.591700      0.2016000    
 H   -3.151300      -3.007200      0.8274000    
 H   -2.951100      -2.492000     -0.8690000    
 H   -3.115400      0.1384000       1.701900    
 H   -1.399700     -3.5599999E-02   2.220500    
 H   -2.571400      -1.289600       2.597300    
 H   -4.045700       1.591000     -0.2024000    
 H   -3.151500       3.007000     -0.8269000    
 H   -2.952200       2.490600      0.8693000    
 H   -3.114400     -0.1385000      -1.703300    
 H   -1.398700      3.6699999E-02  -2.221200    
 H   -2.570900       1.290500      -2.597700    
 H    3.976400      7.3299997E-02  -2.147400    
 H    3.976600     -7.2400004E-02   2.147200    
 H    5.217000      6.9999998E-04 -9.9999997E-05


%chk=000036602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036602

0 1
S -0.476246 -2.572157 -0.988474
S -0.473843 2.570931 0.988202
N -0.240271 -0.001055 0.000975
N -2.002007 -1.322735 0.899236
N -2.001447 1.321349 -0.898070
C 1.208419 -0.000294 0.000261
C -0.934519 -1.261056 0.028589
C -0.935519 1.258401 -0.025496
C 1.914297 0.862046 -0.870476
C 1.916202 -0.861619 0.870464
C -2.944586 -2.453964 0.826676
C -2.164704 -0.440368 2.076626
C -2.942883 2.453630 -0.827163
C -2.162667 0.439874 -2.076339
C 3.324580 0.866069 -0.863783
C 3.326477 -0.863762 0.862523
C 4.037766 0.001603 -0.000969
H 1.361898 1.528411 -1.540983
H 1.365295 -1.528651 1.541530
H -3.920357 -2.130201 1.229719
H -2.575994 -3.318911 1.411149
H -3.051376 -2.783845 -0.218735
H -3.010602 0.260360 1.942166
H -1.254901 0.151426 2.252532
H -2.364598 -1.068103 2.964428
H -3.918108 2.131120 -1.232531
H -2.572040 3.318411 -1.410454
H -3.051612 2.783170 0.218154
H -3.009390 -0.260236 -1.943875
H -1.253036 -0.152538 -2.250995
H -2.360424 1.068319 -2.964119
H 3.865694 1.538507 -1.538520
H 3.869076 -1.535450 1.536814
H 5.133123 0.002318 -0.001462


