%chk=000073003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073003

0 1
 S    5.367600       0.000000      0.2373000    
 O    5.740700       1.260600      0.8636000    
 O    5.744000      -1.258900      0.8650000    
 N    5.930400     -1.8000000E-03  -1.376000    
 N  -0.5055000      1.9999999E-04 -0.6121000    
 N   -1.099500     -3.0000001E-04  0.4919000    
 N   -4.546500      -1.204900     -1.1100000E-02
 N   -4.546300       1.204900     -1.0800000E-02
 N   -2.522200      -2.401800      0.2839000    
 N   -2.521700       2.401400      0.2843000    
 N   -6.538600      3.0000001E-04 -0.3020000    
 C    3.639500     -9.9999997E-05 -1.3400000E-02
 C    2.948800      -1.208000     -0.1121000    
 C    2.949600       1.207900     -0.1133000    
 C   0.8782000      3.9999999E-04 -0.4108000    
 C    1.568100      -1.207700     -0.3110000    
 C    1.568900       1.208300     -0.3121000    
 C   -2.490200     -3.0000001E-04  0.2892000    
 C   -3.211900      -1.168100      0.1836000    
 C   -3.211800       1.167700      0.1838000    
 C   -5.141500      9.9999997E-05 -9.7700000E-02
 H    3.466700      -2.160500     -4.3499999E-02
 H    3.467800       2.160300     -4.5800000E-02
 H    1.038900      -2.154000     -0.3890000    
 H    1.040200       2.154700     -0.3910000    
 H    6.365700      0.8587000      -1.730100    
 H    6.365800     -0.8631000      -1.728100    
 H   -1.662000      -2.429600      0.8174000    
 H   -3.074400      -3.247300      0.2129000    
 H   -1.661500       2.428800      0.8179000    
 H   -3.073800       3.247000      0.2136000    
 H   -7.030200      0.8803000     -0.3743000    
 H   -7.030400     -0.8796000     -0.3745000    


%chk=000073003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073003

0 1
S 5.579613 -0.117891 0.092175
O 6.232568 1.256289 0.677707
O 5.901129 -1.596776 0.697901
N 6.045225 -0.194100 -1.692841
N -0.446603 0.699478 0.040708
N -1.233762 -0.379308 0.025472
N -4.790623 -1.309164 -0.001516
N -4.676266 1.156106 0.026563
N -2.841170 -2.600723 -0.007840
N -2.596040 2.247747 0.046804
N -6.706767 0.013978 0.007741
C 3.719313 0.099802 0.059254
C 2.914085 -1.054139 0.050251
C 3.203046 1.406316 0.074175
C 0.948808 0.419050 0.046681
C 1.518347 -0.889164 0.044558
C 1.803656 1.557406 0.068003
C -2.594328 -0.180002 0.020482
C -3.432656 -1.370537 0.003381
C -3.311735 1.090906 0.031295
C -5.337561 -0.044742 0.011169
H 3.375116 -2.046865 0.071978
H 3.875581 2.268708 0.114811
H 0.852993 -1.755909 0.041593
H 1.350668 2.553661 0.082625
H 6.657858 0.614034 -1.894411
H 6.508239 -1.104166 -1.855761
H -1.823006 -2.647398 -0.001522
H -3.424660 -3.433946 -0.017548
H -1.558349 2.131010 0.051142
H -3.097706 3.135684 0.056544
H -7.163149 0.922533 0.017371
H -7.238967 -0.852278 -0.003244


