%chk=000176004.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176004

0 1
 S   -3.700400      -2.230700       1.051900    
 S   -1.501800      -3.804600     -0.2858000    
 O    3.729500      0.9015000      0.7521000    
 N   -2.098600      -1.129600     -0.6897000    
 C    1.802500       2.868800      4.5800000E-02
 C    3.394700      -1.887500      0.3130000    
 C    1.596900       1.410100     -0.1980000    
 C    2.363000     -0.8778000     -6.9700003E-02
 C    2.572100      0.4812000      0.1657000    
 C   0.2124000     -0.3756000      -1.028100    
 C   0.4129000      0.9800000     -0.7970000    
 C    1.178900      -1.307600     -0.6687000    
 C    3.062400       3.394700     -0.7082000    
 C   0.5779000       3.700500     -0.4447000    
 C    2.011200       3.274700       1.541700    
 C    4.789800      -1.711500     -0.3716000    
 C    3.675800      -1.853300       1.846500    
 C    2.931500      -3.331800     -4.9800001E-02
 C   -1.061500     -0.8384000      -1.674100    
 C   -2.989500     -9.9699996E-02 -0.2819000    
 C   -2.325300      -2.366400     -7.3600002E-02
 C   -3.925600     -0.5227000      0.6605000    
 C   -2.994300       1.218200     -0.7282000    
 C   -4.878400      0.3429000       1.176300    
 C   -3.949700       2.099900     -0.2154000    
 C   -4.886300       1.664900      0.7310000    
 H  -0.3455000       1.663500      -1.136200    
 H   0.9811000      -2.340700     -0.9111000    
 H    4.033400       3.045800     -0.3568000    
 H    3.104800       4.490300     -0.6546000    
 H    2.999200       3.133900      -1.772300    
 H  -0.3429000       3.443400      9.2799999E-02
 H   0.4167000       3.605800      -1.525300    
 H   0.7455000       4.770400     -0.2641000    
 H    1.158800       2.925400       2.138100    
 H    2.046500       4.367000       1.641900    
 H    2.905100       2.902900       2.040900    
 H    5.472000      -2.526600     -0.1032000    
 H    4.681400      -1.708900      -1.462600    
 H    5.281100     -0.7753000     -9.1499999E-02
 H    2.741200      -1.940100       2.413700    
 H    4.318400      -2.690600       2.144400    
 H    4.179400     -0.9405000       2.176100    
 H    3.693500      -4.062600      0.2513000    
 H    2.017700      -3.620200      0.4827000    
 H    2.793000      -3.467000      -1.129100    
 H  -0.8603000      -1.747300      -2.254500    
 H   -1.417800     -0.1224000      -2.423200    
 H    3.773200       1.835400      0.9541000    
 H   -2.338600       1.588000      -1.503500    
 H   -5.606600      1.0400000E-02   1.909100    
 H   -3.976600       3.128700     -0.5644000    
 H   -5.625100       2.361500       1.117400    


%chk=000176004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176004

0 1
S -3.617179 -3.099103 -0.538355
S -1.561625 -3.277491 -2.868012
O 3.693706 0.954220 0.834254
N -2.116027 -1.055599 -1.292535
C 2.306834 3.254475 -0.502431
C 2.813169 -1.783289 0.805349
C 1.794382 1.784963 -0.527409
C 2.038041 -0.638837 0.101460
C 2.493513 0.718416 0.123051
C 0.113253 0.123527 -1.250573
C 0.596429 1.445783 -1.203712
C 0.840175 -0.897708 -0.600768
C 3.705971 3.366387 -1.194037
C 1.364939 4.209362 -1.287670
C 2.355363 3.804924 0.961932
C 4.246152 -1.909207 0.201938
C 2.901943 -1.503933 2.337729
C 2.109405 -3.155786 0.622690
C -1.150100 -0.204720 -2.035961
C -2.879150 -0.553938 -0.211200
C -2.325183 -2.389157 -1.645351
C -3.771429 -1.515427 0.336350
C -2.828890 0.752887 0.324087
C -4.623515 -1.198569 1.407981
C -3.685466 1.073564 1.399567
C -4.576018 0.112255 1.938756
H 0.027973 2.228836 -1.715459
H 0.460889 -1.921039 -0.654982
H 4.496452 2.740288 -0.740099
H 4.057533 4.414465 -1.165553
H 3.629188 3.055205 -2.251227
H 0.349164 4.236978 -0.852818
H 1.284928 3.924177 -2.352165
H 1.772578 5.235955 -1.246730
H 1.345348 3.778568 1.409010
H 2.705356 4.853800 0.957763
H 3.015867 3.240770 1.646824
H 4.787622 -2.735077 0.701181
H 4.194824 -2.138177 -0.878831
H 4.821109 -0.980602 0.338746
H 1.890854 -1.450781 2.783119
H 3.451265 -2.326775 2.833396
H 3.427167 -0.558715 2.543736
H 2.703580 -3.931674 1.139158
H 1.094986 -3.165706 1.062633
H 2.032856 -3.447863 -0.440979
H -0.903666 -0.780230 -2.948650
H -1.672579 0.720615 -2.342908
H 3.936005 1.909489 0.794054
H -2.125927 1.492075 -0.067902
H -5.308189 -1.945038 1.822091
H -3.654203 2.081809 1.825736
H -5.230973 0.381047 2.773828


