%chk=000001352.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001352

0 1
 S  -0.4959000      -1.023100     -0.2773000    
 O  -0.4830000      -1.624900      -1.594200    
 O  -0.2358000      -1.792800      0.9206000    
 N   -1.966400     -0.1662000     -8.5400000E-02
 N   -4.515200      0.7809000      0.8377000    
 N    4.838000     -0.7939000      0.4720000    
 C   -4.413100     -1.4800000E-02 -0.3925000    
 C   -3.207700     -0.9600000     -0.3240000    
 C   -2.073000      0.6542000       1.154700    
 C   -3.296800       1.559600       1.060600    
 C   -5.704800     -0.8064000     -0.5845000    
 C   0.8264000      0.1816000     -0.3114000    
 C    2.140800     -0.1753000     -4.7400001E-02
 C   0.4467000       1.475000     -0.6151000    
 C    3.123300      0.8352000     -9.3999997E-02
 C    1.420000       2.470400     -0.6600000    
 C    2.529400      -1.484200      0.2603000    
 C    2.753800       2.155200     -0.4010000    
 C    4.442600      0.4642000      0.1734000    
 C    3.870600      -1.734900      0.5075000    
 H   -4.299200      0.6657000      -1.246500    
 H   -3.327200      -1.700700      0.4766000    
 H   -3.120300      -1.495100      -1.276100    
 H   -1.192000       1.272900       1.328300    
 H   -2.171100     -1.5200000E-02   2.019200    
 H   -3.404800       2.129200       1.990000    
 H   -3.172000       2.290800      0.2526000    
 H   -4.661600      0.1562000       1.631100    
 H   -5.666600      -1.387000      -1.512500    
 H   -5.877800      -1.505000      0.2419000    
 H   -6.569200     -0.1361000     -0.6475000    
 H  -0.5682000       1.754900     -0.8735000    
 H    1.142800       3.490800     -0.9084000    
 H    1.868200      -2.339500      0.2657000    
 H    3.501300       2.944000     -0.4429000    
 H    5.247900       1.193500      0.1541000    
 H    4.213600      -2.739000      0.7354000    


%chk=000001352-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001352

0 1
S -0.520002 -1.356742 -0.941105
O -1.125197 -1.567819 -2.445452
O -0.044692 -2.650785 -0.052850
N -1.871252 -0.261268 0.039558
N -4.216795 0.328962 1.580967
N 3.990026 0.593417 1.828881
C -4.212414 0.487435 0.112291
C -3.203223 -0.514686 -0.564520
C -1.859642 -0.605061 1.480699
C -2.870905 0.386189 2.166086
C -5.625783 0.297393 -0.460638
C 0.915878 -0.112612 -1.105511
C 1.906170 0.052494 -0.085246
C 0.898685 0.623606 -2.284624
C 2.905194 1.080257 -0.326421
C 1.901841 1.617353 -2.504140
C 2.015706 -0.699860 1.132770
C 2.879478 1.846492 -1.534485
C 3.908250 1.290426 0.681799
C 3.042066 -0.399178 2.029869
H -3.850616 1.509088 -0.113195
H -3.568701 -1.554183 -0.396225
H -3.147006 -0.332204 -1.650630
H -0.850977 -0.440528 1.897751
H -2.164914 -1.655918 1.680476
H -2.919717 0.153613 3.244742
H -2.472657 1.410400 2.050223
H -4.750387 -0.500166 1.877598
H -5.632786 0.447577 -1.554124
H -6.006501 -0.722155 -0.255966
H -6.318458 1.023620 -0.002147
H 0.126748 0.420672 -3.034768
H 1.889235 2.194306 -3.433916
H 1.329079 -1.527800 1.330009
H 3.647542 2.613250 -1.689454
H 4.669329 2.066516 0.526710
H 3.151097 -0.961897 2.962489


