%chk=000039701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039701

0 1
 S   -3.219700       3.301000     -0.1766000    
 O    3.430900      0.8589000     -0.1322000    
 O   0.7130000      0.7055000      -1.017800    
 O   1.5900001E-02  0.9626000       1.184500    
 N  -0.6698000       2.452800     -0.4566000    
 N   -4.632000      -3.704900      0.2972000    
 C    4.798300      0.4529000      0.1653000    
 C    4.790400      -1.023800      0.6256000    
 C    3.439000      -1.427300      0.1761000    
 C    2.721500     -0.3100000     -0.2160000    
 C    5.627900      0.6422000      -1.110900    
 C    5.322900       1.373000       1.268600    
 C    2.861100      -2.683900      0.1575000    
 C    1.409100     -0.3957000     -0.6395000    
 C    1.537400      -2.796400     -0.2754000    
 C   0.8154000      -1.658700     -0.6708000    
 C   6.0000001E-03   1.347300      1.8900000E-02
 C   -1.485200       3.315100      0.3747000    
 C   -3.572100       1.552900     -5.8300000E-02
 C   -3.460400      0.9062000       1.169600    
 C   -3.956900      0.8455000      -1.193900    
 C   -3.735600     -0.4580000       1.262600    
 C   -4.232200     -0.5187000      -1.101100    
 C   -4.121500      -1.170500      0.1273000    
 C   -4.403000      -2.568200      0.2210000    
 H    4.860200      -1.117800       1.714800    
 H    5.584000      -1.615700      0.1599000    
 H    6.679500      0.3854000     -0.9473000    
 H    5.243100      2.1100000E-02  -1.927700    
 H    5.572700       1.679700      -1.459700    
 H    6.352300       1.123200       1.545100    
 H    5.291200       2.421300      0.9505000    
 H    4.694500       1.304500       2.164100    
 H    3.414200      -3.561500      0.4741000    
 H    1.059100      -3.771700     -0.3014000    
 H  -0.2148000      -1.770300     -0.9997000    
 H  -0.5952000       2.673400      -1.444700    
 H   -1.410300       3.030100       1.427900    
 H   -1.096200       4.331400      0.2652000    
 H   -3.169400       1.442600       2.069000    
 H   -4.047300       1.337000      -2.159300    
 H   -3.646000     -0.9519000       2.227200    
 H   -4.531300      -1.060700      -1.995100    


%chk=000039701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039701

0 1
S -2.985408 2.915022 -1.166583
O 3.413725 0.738414 0.015144
O 1.037393 0.215047 -1.654742
O 0.252319 0.685708 0.537152
N -0.283738 2.022096 -1.325053
N -6.334490 -2.696329 2.091827
C 4.790180 0.600237 0.694706
C 5.006333 -0.945639 0.856363
C 3.921027 -1.562857 -0.012964
C 3.042394 -0.532204 -0.418158
C 5.801350 1.234117 -0.274646
C 4.680686 1.352886 2.024465
C 3.681687 -2.892193 -0.400645
C 1.902101 -0.821782 -1.190614
C 2.543709 -3.183219 -1.197635
C 1.655484 -2.152290 -1.583944
C 0.325580 0.960862 -0.681420
C -1.146851 2.952917 -0.638224
C -3.715060 1.466643 -0.310165
C -3.018775 0.614828 0.581380
C -5.090321 1.233619 -0.582567
C -3.696939 -0.454884 1.198547
C -5.764804 0.166560 0.034485
C -5.073628 -0.692177 0.935746
C -5.760902 -1.786174 1.567282
H 4.884296 -1.250226 1.913371
H 6.023913 -1.236681 0.539883
H 6.814452 1.228581 0.168406
H 5.833515 0.675265 -1.226711
H 5.520549 2.278468 -0.493829
H 5.634918 1.288118 2.579003
H 4.449528 2.418004 1.851046
H 3.879429 0.921998 2.648637
H 4.359284 -3.695456 -0.091553
H 2.343268 -4.211980 -1.512599
H 0.770346 -2.365036 -2.191545
H -0.139303 2.104888 -2.332662
H -1.073013 2.787715 0.446562
H -0.876682 3.994966 -0.874302
H -1.956073 0.752975 0.804601
H -5.632175 1.888409 -1.273605
H -3.154114 -1.112068 1.885049
H -6.824490 -0.007247 -0.176791


