%chk=000178681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178681

0 1
 S  -0.7068000       3.314900      4.4799998E-02
 S    1.725000       1.358400      4.4799998E-02
 S   -3.719500       3.367400      0.2184000    
 O  -0.2050000     -0.5164000      1.9200001E-02
 N   -2.084500       1.076700      4.2700000E-02
 N    1.982100      -1.306300     -2.9300001E-02
 C   -3.114800      8.2800001E-02  9.9999998E-03
 C  -0.7298000      0.7749000      7.5099997E-02
 C   9.4499998E-02   1.817300      8.0499999E-02
 C   -2.307600       2.481600      6.7599997E-02
 C   -2.903600      -1.156200      0.6115000    
 C   -4.325300      0.3575000     -0.6231000    
 C   -5.119600      -1.851800     -5.3399999E-02
 C   -3.907100      -2.124600      0.5798000    
 C   -5.328700     -0.6108000     -0.6548000    
 C    1.160400     -0.3143000      8.2999999E-03
 C    3.341100     -0.9769000     -3.8600001E-02
 C   -6.192900      -2.887200     -8.7499999E-02
 C    6.052600     -0.3214000     -5.7100002E-02
 C    4.035000     -0.8449000       1.164200    
 C    4.003000     -0.7811000      -1.250600    
 C    5.390800     -0.5171000       1.155000    
 C    5.358800     -0.4534000      -1.259900    
 C    7.501800      3.0800000E-02 -6.7599997E-02
 H   -2.006300      -1.396200       1.171300    
 H   -4.504200       1.253600      -1.203700    
 H   -3.737400      -3.083600       1.062300    
 H   -6.259500     -0.3969000      -1.173600    
 H   -6.080900      -3.515100     -0.9769000    
 H   -6.153400      -3.526400      0.8010000    
 H   -7.186300      -2.426100     -0.1061000    
 H    3.529400     -0.9981000       2.114100    
 H    3.472300     -0.8842000      -2.193600    
 H    5.920800     -0.4189000       2.098700    
 H    5.863900     -0.3053000      -2.210700    
 H    7.749300      0.6589000     -0.9302000    
 H    7.778100      0.5957000      0.8292000    
 H    8.109100     -0.8788000     -0.1099000    


%chk=000178681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178681

0 1
S -1.587351 3.827662 1.280253
S 1.376729 2.329480 0.876751
S -4.617130 3.130886 1.036047
O -0.318035 0.235766 0.259358
N -2.464874 1.403339 0.565524
N 1.910886 -0.397982 -0.039795
C -3.268382 0.239437 0.231124
C -1.065801 1.354653 0.622597
C -0.415482 2.500746 0.969306
C -3.006780 2.660886 0.907793
C -3.060984 -0.969979 0.928500
C -4.236616 0.321218 -0.794045
C -4.813610 -2.048809 -0.428229
C -3.829693 -2.104175 0.590591
C -5.000417 -0.818209 -1.112708
C 1.096545 0.510689 0.292278
C 3.317656 -0.459343 -0.080176
C -5.655000 -3.263315 -0.776285
C 6.160465 -0.757395 -0.267938
C 4.184520 0.461985 0.572070
C 3.887494 -1.537511 -0.810986
C 5.583038 0.303792 0.474521
C 5.283327 -1.676044 -0.906577
C 7.665991 -0.916993 -0.376968
H -2.306521 -1.029178 1.719070
H -4.389977 1.262577 -1.328134
H -3.662621 -3.043088 1.130302
H -5.751398 -0.752642 -1.908736
H -5.655647 -3.454056 -1.865132
H -5.284829 -4.172111 -0.272273
H -6.708907 -3.117142 -0.471809
H 3.782457 1.283608 1.174948
H 3.210422 -2.247148 -1.296095
H 6.237529 1.018502 0.987302
H 5.703137 -2.510528 -1.481144
H 8.000303 -0.853763 -1.429784
H 8.199404 -0.136825 0.192252
H 7.994954 -1.900491 0.008127


