%chk=000178611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178611

0 1
 S    2.485500     -0.2818000      2.9000000E-03
 P   0.4663000     -6.9300003E-02 -0.6067000    
 O   0.4243000     -9.0499997E-02  -2.117300    
 N  -0.3968000      -1.304700      0.1274000    
 N  -0.1118000       1.344800      8.3300002E-02
 C   -2.121000      0.2346000      0.9929000    
 C   -1.843200      -1.090600      0.2802000    
 C   -1.570600       1.446400      0.2379000    
 C  -0.1620000      -2.669200     -0.3523000    
 C   0.4026000       2.612800     -0.4412000    
 C    2.426700     -0.1325000       1.792900    
 H   -3.205000      0.3530000       1.109300    
 H   -1.697600      0.2060000       2.005600    
 H   -2.288400      -1.895000      0.8778000    
 H   -2.331500      -1.091900     -0.7019000    
 H   -2.050900       1.518700     -0.7456000    
 H   -1.833400       2.346200      0.8070000    
 H  -0.5496000      -2.804700      -1.367300    
 H  -0.6277000      -3.408700      0.3080000    
 H   0.9091000      -2.891800     -0.3671000    
 H    1.496400       2.602900     -0.4621000    
 H   0.1075000       3.455100      0.1937000    
 H   4.6500001E-02   2.793800      -1.460800    
 H    3.431000     -0.2571000       2.205600    
 H    1.775500     -0.9013000       2.216000    
 H    2.050100      0.8524000       2.079600    


%chk=000178611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178611

0 1
S 2.621807 -0.250222 0.227435
P 0.566680 -0.065253 -0.819487
O 0.839010 -0.130461 -2.397472
N -0.413185 -1.320349 -0.095394
N -0.142438 1.392994 -0.162731
C -1.915057 0.232671 1.172480
C -1.793401 -1.083291 0.385742
C -1.541986 1.455455 0.317377
C -0.116167 -2.697260 -0.538570
C 0.416061 2.660409 -0.675242
C 2.015200 -0.152116 2.010948
H -2.959148 0.345132 1.520659
H -1.259866 0.192575 2.062172
H -2.054104 -1.934874 1.044837
H -2.522238 -1.090126 -0.457891
H -2.257544 1.557830 -0.531451
H -1.631194 2.375743 0.927728
H -0.712749 -2.996900 -1.424858
H -0.326686 -3.399317 0.290069
H 0.952691 -2.785535 -0.799561
H 1.481529 2.525715 -0.930300
H 0.346276 3.432777 0.113660
H -0.112110 3.022139 -1.581475
H 2.907815 -0.261803 2.647836
H 1.305888 -0.971409 2.203681
H 1.536915 0.823076 2.187606


