%chk=000178588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178588

0 1
 S   0.2834000       1.956000     -0.1830000    
 P  -4.8799999E-02  0.2458000      0.9809000    
 O   9.0400003E-02   1.529100      -1.555000    
 O    1.544200       2.519400      0.2581000    
 N    1.254400     -0.7170000      0.4731000    
 N   -1.419900     -0.3697000      0.1907000    
 C    1.545300     -0.7446000     -0.9605000    
 C    2.548000     -0.5059000       1.123000    
 C   -2.703200      0.2828000      0.4504000    
 C   -1.683100      -1.802300      0.3290000    
 C    2.852100      -1.520500      -1.050500    
 C    3.489300      -1.397100      0.3271000    
 C   -3.701900     -0.6081000     -0.2723000    
 C   -3.050100      -1.983800     -0.3163000    
 C   -1.000100       3.115900      0.2051000    
 H    1.816200      0.2211000      -1.388600    
 H   0.7663000      -1.215100      -1.569000    
 H    2.537400     -0.7977000       2.179300    
 H    2.893400      0.5321000       1.058800    
 H   -2.794100       1.291000      5.6699999E-02
 H   -2.936400      0.3056000       1.523400    
 H   -1.734700      -2.105200       1.383700    
 H  -0.9393000      -2.431000     -0.1723000    
 H    3.507200      -1.126700      -1.834900    
 H    2.661000      -2.576500      -1.275300    
 H    3.567300      -2.388400      0.7893000    
 H    4.497000     -0.9729000      0.2725000    
 H   -3.873900     -0.2490000      -1.294100    
 H   -4.667900     -0.6321000      0.2420000    
 H   -3.646700      -2.730500      0.2178000    
 H   -2.950500      -2.314500      -1.356700    
 H   -1.847700       2.979400     -0.4642000    
 H   -1.283600       3.023700       1.254400    
 H  -0.5957000       4.117900      3.6100000E-02


%chk=000178588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178588

0 1
S 0.571410 2.247438 -0.701470
P -0.254270 -0.049831 1.447779
O -0.510063 1.625634 0.710897
O 0.243658 1.393181 -2.081148
N 1.284633 -0.481155 0.710605
N -1.391961 -1.052935 0.551954
C 1.509346 -1.386353 -0.452677
C 2.556375 -0.180568 1.420419
C -2.670314 -1.383129 1.250858
C -1.657030 -0.991948 -0.922498
C 3.042127 -1.636192 -0.444388
C 3.471674 -1.361135 1.020913
C -3.755543 -0.732279 0.363290
C -3.213035 -0.983657 -1.070223
C -0.562621 3.774082 -0.865879
H 1.177878 -0.909919 -1.394129
H 0.937183 -2.325155 -0.311198
H 2.390393 -0.109125 2.511973
H 2.994639 0.781830 1.078349
H -2.658390 -1.006754 2.289383
H -2.804601 -2.483814 1.286774
H -1.220660 -1.873226 -1.428938
H -1.189537 -0.089442 -1.361716
H 3.544364 -0.922611 -1.123261
H 3.294284 -2.657024 -0.779320
H 3.255287 -2.237579 1.659144
H 4.543940 -1.116129 1.114636
H -3.804102 0.351198 0.575419
H -4.757049 -1.169251 0.522433
H -3.569213 -1.960930 -1.445270
H -3.545550 -0.209924 -1.783009
H -0.521217 4.332397 0.079498
H -0.189075 4.362536 -1.717542
H -1.567659 3.372966 -1.052958


