%chk=000145817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145817

0 1
 S    1.398500       3.155100     -0.5557000    
 O    1.270900     -0.4304000       2.358000    
 O   -2.084200      0.7910000       2.340100    
 N    2.987100      0.4131000      2.4700001E-02
 N   -1.660200       2.171300     -0.3123000    
 N    3.254200     -0.8556000      -1.796900    
 N   -2.244100       1.268500      -2.255900    
 N    1.832800      -2.661500      -1.016300    
 N   -3.118800     -0.7773000      -1.286300    
 N   0.8355000      -2.355700       1.167800    
 N   -2.995700     -0.9431000       1.125400    
 N   0.4575000      -4.275400     -0.1223000    
 N   -3.902600      -2.649100     -0.2012000    
 C    3.140200       1.540600      0.9126000    
 C   -1.122400       3.155000      0.6213000    
 C    3.019500       2.902400      0.2287000    
 C   0.3680000       2.992000      0.9195000    
 C    2.246900     -0.7148000      0.2359000    
 C   -2.197800      0.9652000     -3.7000000E-03
 C    2.433900      -1.465700     -0.8964000    
 C   -2.546200      0.4365000      -1.220300    
 C    3.573400      0.2815000      -1.210600    
 C   -1.704700       2.318400      -1.668200    
 C    1.431200      -1.110400       1.351200    
 C   -2.399300      0.3082000       1.258600    
 C    1.041300      -3.045400      6.4499997E-02
 C   -3.315000      -1.414600     -6.2399998E-02
 H    2.472400       1.459000       1.767600    
 H    4.154300       1.450600       1.323700    
 H   -1.323600       4.145200      0.1925000    
 H   -1.708700       3.099300       1.544000    
 H    3.180200       3.700100      0.9621000    
 H    3.787700       3.028300     -0.5408000    
 H   0.6717000       3.745900       1.652800    
 H   0.5045000       2.003700       1.361300    
 H    4.229800       1.031300      -1.630400    
 H   -1.347500       3.203100      -2.177800    
 H    1.930700      -3.263000      -1.827400    
 H   -3.398800      -1.222400      -2.153900    
 H   0.6113000      -4.811400     -0.9693000    
 H  -0.1467000      -4.681500      0.5839000    
 H   -4.149800      -3.018600      -1.112700    
 H   -4.104600      -3.227300      0.6072000    


%chk=000145817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145817

0 1
S 1.572565 2.847047 -0.546769
O 1.064731 -0.376165 1.599252
O -3.715115 2.192481 1.910373
N 3.754900 0.497385 0.253130
N -1.670560 1.591499 -0.385100
N 4.709782 -0.753905 -1.410430
N -1.902232 -0.249887 -1.726664
N 2.950883 -2.514573 -1.436963
N -3.937551 -1.128968 -0.593366
N 1.146165 -2.241331 0.156282
N -4.776273 0.184479 1.261434
N 1.185521 -4.087580 -1.270527
N -5.856634 -1.787873 0.634532
C 3.510926 1.598296 1.205661
C -1.156920 2.844712 0.215795
C 3.126795 2.924253 0.516918
C 0.249341 2.708389 0.820152
C 2.903786 -0.599857 0.040195
C -2.805819 0.900974 0.074130
C 3.529123 -1.334393 -0.978808
C -2.903339 -0.213035 -0.772023
C 4.809840 0.362846 -0.637989
C -1.168297 0.866226 -1.456043
C 1.653538 -1.025425 0.671427
C -3.763232 1.172931 1.147365
C 1.755653 -2.912760 -0.823222
C -4.836447 -0.872162 0.450319
H 2.704858 1.258542 1.877790
H 4.426485 1.756925 1.807795
H -1.183788 3.652043 -0.540085
H -1.875612 3.099462 1.017327
H 2.977629 3.702618 1.286885
H 3.919358 3.266241 -0.171072
H 0.424719 3.545520 1.518389
H 0.369191 1.740565 1.335782
H 5.631400 1.072721 -0.695424
H -0.271766 1.160154 -1.995446
H 3.400846 -3.039470 -2.188712
H -4.004237 -1.941959 -1.207241
H 1.566010 -4.645072 -2.029958
H 0.306663 -4.352534 -0.833046
H -5.960799 -2.634175 0.082407
H -6.499284 -1.593084 1.398145


