%chk=000001389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001389

0 1
 S   0.4948000     -0.7883000      -1.242700    
 O    3.026500      0.9114000      0.2811000    
 O   0.6651000      -1.924100      -2.128900    
 O   0.9883000      0.5223000      -1.620800    
 O   -3.608200       2.929200      0.3407000    
 O   -6.279200       1.943400      0.5911000    
 N    1.079100      -1.184800      0.3034000    
 N   -5.251800     -9.7900003E-02 -6.1799999E-02
 C    1.131700     -0.1002000       1.336200    
 C   0.5597000     -0.7392000       2.604200    
 C   0.5574000      -2.424700      0.9406000    
 C   0.8309000      -2.221000       2.421300    
 C    2.578700      0.3443000       1.501600    
 C   -1.231900     -0.6336000     -0.9003000    
 C   -1.733700      0.6032000     -0.5263000    
 C   -2.046300      -1.765800      -1.016500    
 C   -3.087700      0.6575000     -0.2729000    
 C   -3.926600     -0.4502000     -0.3788000    
 C   -3.418400      -1.680600     -0.7527000    
 C    4.363900      0.7982000     -2.4999999E-03
 C   -3.924500       1.782700      0.1349000    
 C   -5.344500       1.244500      0.2640000    
 C   -6.348700      -1.034700     -8.2699999E-02
 C    5.284800      0.7527000       1.036900    
 C    4.781500      0.7309000      -1.326000    
 C    6.644700      0.6384000      0.7484000    
 C    6.141500      0.6164000      -1.614500    
 C    7.073000      0.5701000     -0.5772000    
 H   0.5271000      0.7644000       1.052500    
 H  -0.5239000     -0.5704000       2.643300    
 H   0.9936000     -0.3412000       3.526200    
 H    1.082900      -3.303300      0.5564000    
 H  -0.5137000      -2.560300      0.8084000    
 H    1.878000      -2.448800       2.652600    
 H   0.1969000      -2.848300       3.054300    
 H    3.181700     -0.5281000       1.786900    
 H    2.646900       1.100800       2.292300    
 H   -1.118500       1.489900     -0.4392000    
 H   -1.639000      -2.727700      -1.316200    
 H   -4.047300      -2.559000     -0.8444000    
 H   -6.457100      -1.444000      -1.091200    
 H   -7.277300     -0.5300000      0.1990000    
 H   -6.150900      -1.840900      0.6296000    
 H    4.995800      0.8328000       2.080300    
 H    4.059200      0.7663000      -2.136400    
 H    7.371000      0.6093000       1.555400    
 H    6.475000      0.5635000      -2.646800    
 H    8.131900      0.4826000     -0.8020000    


%chk=000001389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001389

0 1
S 0.092800 -0.683691 -1.345873
O 3.718576 0.506969 -0.029948
O 0.263112 -1.975338 -2.311694
O 0.441629 0.836974 -1.810605
O -4.332382 2.640503 0.940124
O -7.086027 1.295720 0.969532
N 1.174532 -1.041019 0.171140
N -5.825292 -0.487226 0.034775
C 1.532512 0.197045 0.943173
C 0.683203 0.115479 2.239734
C 0.564061 -2.058959 1.100886
C 0.586518 -1.408917 2.517362
C 3.046008 0.191884 1.227634
C -1.754883 -0.681662 -0.864782
C -2.311683 0.487885 -0.314411
C -2.509239 -1.834822 -1.159973
C -3.688145 0.457171 -0.037076
C -4.473528 -0.705761 -0.318695
C -3.898917 -1.859931 -0.884162
C 5.123741 0.484466 -0.047238
C -4.585541 1.483479 0.538131
C -6.007066 0.809864 0.566362
C -6.912825 -1.454416 -0.130796
C 5.935920 0.243886 1.089140
C 5.712989 0.734567 -1.311465
C 7.343906 0.255396 0.945802
C 7.115493 0.743552 -1.435798
C 7.941298 0.503768 -0.308609
H 1.316154 1.085082 0.320252
H -0.321005 0.537579 2.051503
H 1.127333 0.673637 3.081727
H 1.154818 -2.988552 1.050855
H -0.473016 -2.305675 0.797311
H 1.469757 -1.754285 3.083333
H -0.310127 -1.672691 3.103033
H 3.377211 -0.797061 1.604974
H 3.279107 0.968458 1.987465
H -1.715602 1.390568 -0.141781
H -2.009018 -2.687450 -1.633316
H -4.493183 -2.747534 -1.117835
H -7.038322 -1.729869 -1.193420
H -7.839512 -0.978025 0.227693
H -6.725300 -2.367464 0.462592
H 5.495907 0.054467 2.073147
H 5.056356 0.912617 -2.168423
H 7.971889 0.069944 1.824822
H 7.566619 0.936074 -2.415584
H 9.031564 0.511013 -0.410217


