%chk=000078038.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078038

0 1
 S    1.542100       2.139900       1.259200    
 N   0.3595000     -5.5199999E-02 -0.5974000    
 N   -2.904500      -1.012700      0.4962000    
 C  -0.7264000      -2.216600      4.9500000E-02
 C  -0.3283000      -1.253100      -1.096600    
 C   -1.678800      -1.550300       1.080600    
 C   0.5360000      -2.695100      0.7984000    
 C   -1.398400      -3.456800     -0.5779000    
 C    1.745200     -0.1669000     -0.3186000    
 C  -0.3983000       1.138900     -0.4971000    
 C    2.401600      0.7810000      0.4912000    
 C   4.5600001E-02   2.216200      0.2951000    
 C   -3.715500     -0.3540000       1.520600    
 C   -3.671200      -2.074900     -0.1555000    
 C    2.536400      -1.202500     -0.8623000    
 C   -1.605100       1.320600      -1.207500    
 C    3.777900      0.6700000      0.7580000    
 C  -0.7058000       3.401300      0.3848000    
 C    3.904900      -1.305200     -0.5982000    
 C   -2.345500       2.502500      -1.118700    
 C    4.525700     -0.3697000      0.2153000    
 C   -1.897100       3.542800     -0.3191000    
 H   0.2660000      -1.784500      -1.846500    
 H   -1.220400      -1.048200      -1.685900    
 H   -1.923500      -2.279300       1.867100    
 H   -1.138400     -0.7418000       1.589900    
 H    1.255100      -3.189300      0.1407000    
 H   0.2477000      -3.460000       1.532900    
 H    1.016700      -1.911400       1.388400    
 H   -1.946200      -3.281000      -1.503400    
 H  -0.6069000      -4.143300     -0.9155000    
 H   -1.968500      -4.050600      0.1421000    
 H   -3.148500      0.4508000       2.002300    
 H   -4.050100      -1.052400       2.296100    
 H   -4.597700      0.1168000       1.072500    
 H   -3.415100      -2.177100      -1.208600    
 H   -4.722400      -1.757400     -0.2295000    
 H   -3.721400      -3.013800      0.4021000    
 H    2.147200      -1.949700      -1.544800    
 H   -2.012600      0.5940000      -1.899800    
 H    4.283200       1.395400       1.392600    
 H  -0.3693000       4.229500       1.005400    
 H    4.483100      -2.112600      -1.038200    
 H   -3.266500       2.609600      -1.684600    
 H    5.588500     -0.4447000      0.4237000    
 H   -2.468400       4.463200     -0.2468000    


%chk=000078038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078038

0 1
S 1.213071 1.586046 1.853944
N 0.304496 -0.102382 -0.494342
N -3.124544 -1.473515 0.427003
C -0.743764 -2.391940 0.050629
C -0.411912 -1.291038 -1.014886
C -1.821199 -1.840907 1.042266
C 0.486043 -2.814357 0.892026
C -1.263250 -3.617016 -0.745275
C 1.723029 -0.142066 -0.298373
C -0.348252 1.171535 -0.441285
C 2.319722 0.648883 0.723004
C 0.001687 2.106122 0.573710
C -3.657909 -0.177748 0.907985
C -4.153617 -2.530609 0.537647
C 2.582321 -0.926092 -1.114960
C -1.321549 1.567631 -1.399289
C 3.714681 0.673101 0.917194
C -0.593526 3.381545 0.637996
C 3.977059 -0.931631 -0.900669
C -1.947623 2.829625 -1.314505
C 4.553108 -0.132378 0.112887
C -1.589596 3.744128 -0.297581
H 0.148262 -1.753074 -1.850102
H -1.389288 -0.969857 -1.412295
H -1.962607 -2.593434 1.854925
H -1.389492 -0.941051 1.521583
H 1.311166 -3.178633 0.254214
H 0.205729 -3.632393 1.583025
H 0.870871 -1.975306 1.498006
H -2.109115 -3.339715 -1.400419
H -0.459602 -4.035216 -1.381669
H -1.597435 -4.420017 -0.062053
H -2.912995 0.619672 0.754871
H -3.940655 -0.193462 1.990736
H -4.561206 0.087110 0.327636
H -3.773987 -3.487253 0.146708
H -5.041651 -2.247417 -0.056964
H -4.487541 -2.699452 1.593544
H 2.163158 -1.535422 -1.920593
H -1.588481 0.889811 -2.215166
H 4.137801 1.307449 1.703309
H -0.286812 4.079200 1.424513
H 4.614924 -1.553985 -1.538130
H -2.705224 3.102533 -2.057294
H 5.635791 -0.131338 0.275209
H -2.068486 4.726713 -0.236522


