%chk=000178597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178597

0 1
 S   0.6750000      -1.102400       1.465200    
 P    1.659600     -0.3682000     -0.2627000    
 O    1.177800      -1.157400      -1.462700    
 O   -5.356700     -0.9117000      -1.423600    
 O   -5.726500      0.4335000      0.2713000    
 N    3.277900     -0.4920000      3.0600000E-02
 N    1.352000       1.249600     -0.3520000    
 N   -4.968800     -0.3185000     -0.3882000    
 C    4.220800      6.9100000E-02 -0.9370000    
 C    3.836300      -1.784100      0.4222000    
 C    1.641500       2.093500      0.8075000    
 C   5.8899999E-02   1.704300     -0.8579000    
 C    5.590400     -0.4528000     -0.5257000    
 C    5.317600      -1.492600      0.5490000    
 C   0.9936000       3.438400      0.5085000    
 C   0.1553000       3.211500     -0.7391000    
 C   -1.003600     -0.8693000      0.9139000    
 C   -1.457200      -1.518400     -0.2343000    
 C   -1.863900     -3.7500001E-02   1.630700    
 C   -2.771000      -1.335900     -0.6658000    
 C   -3.177700      0.1450000       1.199200    
 C   -3.631300     -0.5042000      5.0900001E-02
 H    4.199400       1.163100     -0.9353000    
 H    3.980300     -0.2733000      -1.950500    
 H    3.651400      -2.536200     -0.3537000    
 H    3.435000      -2.153300       1.369400    
 H    2.719000       2.205400      0.9622000    
 H    1.211600       1.690800       1.729700    
 H  -0.7803000       1.369500     -0.2584000    
 H  -0.1057000       1.395900      -1.894600    
 H    6.228900      0.3462000     -0.1341000    
 H    6.101700     -0.9040000      -1.383200    
 H    5.931200      -2.389500      0.4218000    
 H    5.538800      -1.069100       1.536500    
 H    1.740500       4.220000      0.3337000    
 H   0.3630000       3.755000       1.346700    
 H  -0.8266000       3.689700     -0.6706000    
 H   0.6727000       3.628700      -1.611900    
 H  -0.8357000      -2.220000     -0.7809000    
 H   -1.526900      0.4782000       2.526600    
 H   -3.093900      -1.867900      -1.557200    
 H   -3.819400      0.8010000       1.782000    


%chk=000178597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178597

0 1
S 0.556724 -0.767733 1.465767
P 1.665677 -0.150187 -0.597361
O 0.991031 -0.880125 -1.855342
O -5.800402 -1.407776 -0.955521
O -6.234939 -0.694711 1.169246
N 3.260826 -0.563653 -0.124975
N 1.671605 1.572990 -0.716607
N -5.418153 -1.023156 0.219528
C 4.447990 0.339774 -0.162311
C 3.636971 -1.987088 0.136325
C 1.918225 2.455220 0.466571
C 0.774303 2.239670 -1.720817
C 5.630586 -0.653147 -0.259761
C 5.128093 -1.885085 0.535517
C 0.891129 3.598862 0.293935
C 0.750708 3.711404 -1.245491
C -1.215108 -0.817737 1.009272
C -1.674031 -1.249565 -0.264576
C -2.149640 -0.456937 2.019594
C -3.055427 -1.308732 -0.525553
C -3.531005 -0.531001 1.768882
C -3.969916 -0.953066 0.492656
H 4.517752 0.939859 0.767715
H 4.389504 1.032820 -1.019665
H 3.503756 -2.596035 -0.779248
H 3.009971 -2.420750 0.935840
H 2.954307 2.845211 0.438560
H 1.778103 1.892662 1.409018
H -0.239627 1.794654 -1.704418
H 1.180488 2.117209 -2.738846
H 6.562322 -0.226585 0.149373
H 5.807553 -0.927488 -1.315663
H 5.681815 -2.807669 0.293842
H 5.219676 -1.702362 1.621758
H 1.228714 4.537258 0.765142
H -0.076206 3.311488 0.745149
H -0.174672 4.223694 -1.557162
H 1.609735 4.263718 -1.668575
H -0.952172 -1.518567 -1.043352
H -1.789005 -0.119633 2.996652
H -3.434731 -1.634217 -1.497841
H -4.267532 -0.263386 2.530943


