%chk=000132229.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132229

0 1
 S    3.405400      0.5101000     -0.6121000    
 O   0.2647000      -2.864000     -0.3432000    
 O    3.870400     -0.6965000      -1.291600    
 O    3.721600       1.804600      -1.210200    
 N   -2.675000      0.3552000      7.5099997E-02
 N   -5.525300      0.2435000      0.1864000    
 N    3.998900      0.4920000       1.014300    
 N  -0.8883000      -2.113000     -0.1922000    
 N    1.390200      -2.065100     -0.4503000    
 C   -3.479000       1.039700     -0.9464000    
 C   -3.340000     -0.7511000      0.7722000    
 C   -4.852900       1.408200     -0.3876000    
 C   -4.719800     -0.3193000       1.268700    
 C   -1.284500      0.3396000     -8.3099999E-02
 C  -0.4960000     -0.8330000     -0.2034000    
 C    1.679000      0.4012000     -0.4188000    
 C  -0.5191000       1.530900     -0.1391000    
 C   0.9525000     -0.8025000     -0.3675000    
 C   0.8914000       1.560600     -0.2988000    
 C    3.548700       1.579200       1.920200    
 C    4.057200     -0.8202000       1.707300    
 H   -3.588800      0.3820000      -1.818300    
 H   -2.992100       1.958700      -1.292600    
 H   -2.751900      -1.073400       1.640100    
 H   -3.454400      -1.605700      9.3900003E-02
 H   -4.754100       2.194400      0.3715000    
 H   -5.471600       1.816900      -1.193900    
 H   -5.239600      -1.187600       1.688000    
 H   -4.617500      0.4148000       2.077900    
 H   -6.432700      0.5270000      0.5549000    
 H   -1.028700       2.490100     -4.3000001E-02
 H    1.366800       2.540500     -0.3200000    
 H    3.538500       2.538900       1.396500    
 H    4.251800       1.673500       2.753900    
 H    2.553200       1.368100       2.320400    
 H    4.520800      -1.574900       1.066700    
 H    3.056400      -1.148900       2.000100    
 H    4.676900     -0.7354000       2.605700    


%chk=000132229-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132229

0 1
S 3.423076 0.423358 -0.584906
O 0.209938 -2.599303 1.307238
O 3.949104 -0.954294 -1.262303
O 3.644357 1.872718 -1.291599
N -2.783802 0.285996 -0.188593
N -5.620805 0.396219 0.213693
N 4.300908 0.556047 1.081527
N -1.001957 -1.921158 0.941754
N 1.384098 -1.871091 0.876192
C -3.560332 1.478568 -0.608719
C -3.599918 -0.959876 -0.108432
C -4.829482 1.637357 0.257255
C -4.856110 -0.744808 0.754980
C -1.399044 0.283346 -0.266576
C -0.591320 -0.801085 0.291575
C 1.546424 0.330126 -0.350443
C -0.650493 1.342745 -0.841706
C 0.876276 -0.771344 0.251082
C 0.773033 1.359242 -0.881445
C 3.725667 1.654990 1.886177
C 4.441392 -0.754780 1.755672
H -3.850926 1.385127 -1.675868
H -2.943688 2.382584 -0.484621
H -2.993411 -1.775043 0.309837
H -3.920290 -1.232202 -1.135646
H -4.509006 1.912380 1.293038
H -5.426956 2.472543 -0.150074
H -5.474502 -1.658457 0.707935
H -4.539338 -0.592459 1.815628
H -6.557746 0.494181 0.621211
H -1.167869 2.174127 -1.324034
H 1.293594 2.191185 -1.370149
H 3.616533 2.549070 1.249727
H 4.453704 1.891417 2.683232
H 2.750365 1.405967 2.362335
H 4.674830 -1.521613 0.998720
H 3.542802 -1.070571 2.325427
H 5.303996 -0.672108 2.442579


