%chk=000004150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004150

0 1
 S    4.297700      -2.280600     -0.5310000    
 O    1.857600      -3.419000      0.8108000    
 O    1.554000       1.467300     -0.1310000    
 O    1.132900       4.012500     -0.9401000    
 N    2.199800       3.684500     -9.3099996E-02
 C    4.678000      0.4873000     -0.4183000    
 C    4.793600       1.784700      0.3932000    
 C    4.376100     -0.7443000      0.4361000    
 C    3.505900       2.108700       1.151000    
 C    2.590700      -2.139500      -1.107300    
 C   0.2560000      -1.921700     -2.2500001E-02
 C   -2.256600     -0.7100000      1.0200000E-02
 C    1.601900      -2.570000     -3.9799999E-02
 C    2.309900       2.357900      0.2485000    
 C   -3.559700     -8.1799999E-02  2.7000001E-02
 C  -0.3152000      -1.468200      -1.211500    
 C  -0.4290000      -1.769200       1.183000    
 C   -1.571400     -0.8626000      -1.195200    
 C   -1.685500      -1.163400       1.199300    
 C   -3.666200       1.298900      0.1948000    
 C   -4.709900     -0.8564000     -0.1250000    
 C   -4.922400       1.904900      0.2109000    
 C   -5.966000     -0.2503000     -0.1091000    
 C   -6.072200       1.130300      5.8800001E-02
 H    5.631200      0.3369000     -0.9416000    
 H    3.918700      0.6130000      -1.198100    
 H    5.620500       1.697000       1.107600    
 H    5.039800       2.606900     -0.2890000    
 H    5.175300     -0.8706000       1.174800    
 H    3.443000     -0.6406000      0.9949000    
 H    3.240200       1.323100       1.865300    
 H    3.679600       3.005100       1.760500    
 H    2.402100      -1.115900      -1.438400    
 H    2.463000      -2.807500      -1.965000    
 H   0.1877000      -1.588100      -2.166900    
 H   2.7000001E-03  -2.111400       2.119800    
 H   -2.004000     -0.5177000      -2.131500    
 H   -2.205500      -1.051100       2.147800    
 H   -2.779800       1.917700      0.3145000    
 H   -4.645000      -1.934000     -0.2569000    
 H    2.737700       4.454300      0.2882000    
 H   -5.005300       2.979900      0.3416000    
 H   -6.861600     -0.8533000     -0.2274000    
 H   -7.050400       1.602200      7.1199998E-02
 H    1.583800       3.989200      -1.801200    


%chk=000004150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004150

0 1
S 3.908908 -2.255151 -1.150822
O 2.038446 -1.506025 1.246617
O 2.741154 2.021786 -0.732598
O 2.394861 4.614955 -0.398586
N 3.258562 3.871696 0.477503
C 5.369538 0.175804 -0.597682
C 5.621448 1.261852 0.479993
C 4.952500 -1.179098 0.013566
C 4.326621 1.770335 1.186214
C 2.303556 -1.271717 -1.173523
C 0.013578 -1.035240 0.039261
C -2.812874 -0.547769 0.000177
C 1.488841 -1.303167 0.122312
C 3.398005 2.526820 0.254550
C -4.281921 -0.300533 -0.023180
C -0.624070 -0.553559 -1.135999
C -0.781499 -1.261427 1.196684
C -2.010336 -0.311122 -1.150816
C -2.166069 -1.028415 1.175595
C -4.835376 0.746030 -0.812805
C -5.170558 -1.104792 0.743879
C -6.226315 0.980341 -0.834767
C -6.561917 -0.872495 0.721251
C -7.097595 0.171764 -0.068148
H 6.284547 0.040265 -1.204593
H 4.588229 0.540492 -1.287001
H 6.296446 0.862948 1.263153
H 6.143921 2.123875 0.020463
H 5.827821 -1.810412 0.246760
H 4.351670 -1.072763 0.929540
H 3.758899 0.914595 1.596722
H 4.605712 2.415226 2.042374
H 2.531776 -0.209807 -1.397136
H 1.733037 -1.685440 -2.020996
H -0.041006 -0.355011 -2.040969
H -0.280441 -1.615656 2.103594
H -2.483969 0.036440 -2.075409
H -2.753217 -1.189264 2.086473
H -4.169915 1.400477 -1.386994
H -4.772821 -1.936991 1.335488
H 3.665362 4.454574 1.206093
H -6.629783 1.798187 -1.442121
H -7.228688 -1.510828 1.311598
H -8.177939 0.352751 -0.085603
H 2.076573 3.870569 -1.010208


