%chk=000041952.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041952

0 1
 S    5.929500      0.5877000     -0.1978000    
 O  -0.1812000      -2.091900     -0.1764000    
 O    6.322100      0.4619000      -1.594200    
 O    6.127200       1.852300      0.4973000    
 N   -2.124400     -0.1996000      0.2952000    
 C  -0.8002000     -1.5699999E-02  0.8881000    
 C   -3.097000      0.6883000      0.9312000    
 C   0.1694000     -0.9934000      0.2495000    
 C    1.605300     -0.5990000      0.1378000    
 C   -4.485200      0.4823000      0.3857000    
 C    4.250600      0.1269000     -6.7599997E-02
 C   -2.077100      4.3000001E-02  -1.146200    
 C    2.132000      0.2454000       1.087600    
 C    2.345000      -1.096000     -0.9103000    
 C    3.473300      0.6134000      0.9836000    
 C    3.686400     -0.7279000      -1.014500    
 C   -4.906400       1.224500     -0.7087000    
 C   -5.324200     -0.4468000      0.9850000    
 C    6.801700     -0.6547000      0.7291000    
 C   -6.192400       1.033800      -1.214100    
 C   -6.610200     -0.6374000      0.4797000    
 C   -7.044400      0.1029000     -0.6200000    
 H  -0.4582000       1.015200      0.7387000    
 H  -0.8254000     -0.2353000       1.961600    
 H   -2.811700       1.744200      0.8203000    
 H   -3.118800      0.5018000       2.013500    
 H   -2.990800     -0.2999000      -1.641700    
 H   -1.913100       1.101300      -1.383200    
 H   -1.290400     -0.5169000      -1.661300    
 H    1.554400      0.6213000       1.925800    
 H    1.917300      -1.758700      -1.656300    
 H    3.895500       1.271700       1.737900    
 H    4.274300      -1.123700      -1.837900    
 H   -4.260700       1.964000      -1.173700    
 H   -4.995800      -1.030200       1.840600    
 H    6.611700      -1.631300      0.2800000    
 H    7.868400     -0.4252000      0.6832000    
 H    6.459800     -0.6303000       1.765600    
 H   -6.531600       1.612600      -2.068300    
 H   -7.273500      -1.362500      0.9421000    
 H   -8.045900     -4.5100000E-02  -1.013000    


%chk=000041952-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041952

0 1
S 6.289523 -0.012895 0.371922
O -0.202366 -1.551675 -1.329389
O 7.040197 -0.877537 -0.796460
O 6.597896 1.572453 0.638579
N -2.159161 0.343996 -0.543306
C -0.749244 0.582333 -0.243784
C -3.081357 1.159060 0.281571
C 0.205065 -0.527342 -0.716769
C 1.680202 -0.354985 -0.427094
C -4.494016 0.580203 0.343512
C 4.415449 -0.173893 0.078208
C -2.481095 0.385213 -1.986228
C 2.204186 0.764191 0.276816
C 2.563614 -1.369323 -0.888960
C 3.588482 0.863471 0.535704
C 3.948783 -1.284684 -0.644293
C -5.616372 1.439303 0.435303
C -4.698048 -0.822286 0.362589
C 6.596185 -0.928037 2.028313
C -6.921509 0.909114 0.557859
C -6.001183 -1.354206 0.479169
C -7.117864 -0.490875 0.581399
H -0.364384 1.548148 -0.674878
H -0.626034 0.672035 0.854952
H -3.139056 2.220795 -0.070730
H -2.667281 1.191405 1.310363
H -3.548768 0.149557 -2.125940
H -2.281804 1.389071 -2.438427
H -1.891261 -0.376025 -2.518977
H 1.545791 1.567022 0.621678
H 2.135816 -2.211667 -1.442102
H 4.023364 1.730647 1.044218
H 4.651691 -2.033597 -1.024497
H -5.470606 2.527033 0.408590
H -3.824684 -1.477116 0.266684
H 6.279099 -1.969941 1.884844
H 7.678944 -0.843114 2.196420
H 6.014247 -0.403431 2.798219
H -7.781385 1.585146 0.627631
H -6.146890 -2.440551 0.489174
H -8.128864 -0.904015 0.672014


