%chk=000120859.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120859

0 1
 S   0.8853000      -1.419500      -1.493400    
 S   -1.730400      -2.522200       1.733600    
 O    1.656800      -2.473600      -2.122900    
 O  -1.3900000E-02 -0.5955000      -2.277800    
 N   -1.471800     -0.2821000      0.2027000    
 N   3.7999999E-02  -2.061600     -0.1543000    
 C   -2.617000      0.2993000      0.9169000    
 C   -2.444900       1.816800      0.9942000    
 C   -3.907100     -9.8800004E-02  0.1990000    
 C   -2.616000       2.500600     -0.3619000    
 C   -4.070200      0.5963000      -1.152400    
 C   -3.931400       2.110100      -1.028300    
 C   -1.070400      -1.455800      0.5103000    
 C    2.008200     -0.3183000     -0.6871000    
 C    3.249300     -0.7875000     -0.2922000    
 C    1.626000      0.9936000     -0.4655000    
 C    3.766900       1.407200      0.5752000    
 C    4.135400      8.2000002E-02  0.3439000    
 C    2.512200       1.863000      0.1705000    
 C  -0.7198000      -1.991500       3.135600    
 C    4.714600       2.337200       1.254000    
 H   -2.666500     -4.4300001E-02   1.955100    
 H   -1.458400       2.066000       1.403600    
 H   -3.190300       2.225300       1.688500    
 H   -4.760200      0.1729000      0.8342000    
 H   -3.962000      -1.183000      5.0700001E-02
 H   -2.578500       3.588000     -0.2311000    
 H   -1.780500       2.232300      -1.019700    
 H   -3.319400      0.2163000      -1.856000    
 H   -5.051600      0.3513000      -1.574200    
 H   -4.769400       2.507000     -0.4423000    
 H   -3.991400       2.568400      -2.021900    
 H   0.2969000      -3.011600      0.1415000    
 H    3.550400      -1.817300     -0.4573000    
 H   0.6562000       1.371000     -0.7719000    
 H    5.108900     -0.2857000      0.6574000    
 H    2.212800       2.892900      0.3466000    
 H   -1.012500      -2.554100       4.025900    
 H  -0.8601000     -0.9257000       3.334100    
 H   0.3379000      -2.181800       2.934400    
 H    5.754500       2.068100       1.039400    
 H    4.572900       3.367100      0.9089000    
 H    4.560500       2.305900       2.337100    


%chk=000120859-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120859

0 1
S 0.946449 -1.927993 -1.256491
S -2.010673 -3.121158 1.941245
O 1.970431 -3.180028 -1.444549
O -0.116013 -1.524570 -2.411939
N -1.507085 -0.682238 0.454658
N 0.075693 -2.440977 0.343052
C -2.819495 -0.116279 0.826366
C -2.629369 1.203356 1.623274
C -3.643030 0.146779 -0.466110
C -2.029037 2.338204 0.760966
C -3.032847 1.269342 -1.335109
C -2.863487 2.575444 -0.521921
C -1.114255 -1.862414 0.776487
C 1.942158 -0.411264 -0.765591
C 3.268093 -0.615147 -0.353672
C 1.342178 0.851535 -0.873810
C 3.475306 1.831946 -0.110347
C 4.031156 0.527322 -0.027471
C 2.129376 1.975564 -0.542191
C -1.616392 -2.276779 3.589006
C 4.299037 3.048175 0.270524
H -3.381490 -0.844147 1.454072
H -1.992229 1.016468 2.509877
H -3.627659 1.512924 1.995608
H -4.669204 0.433434 -0.155731
H -3.722768 -0.791616 -1.045301
H -1.970049 3.269043 1.358509
H -0.993375 2.063191 0.483878
H -2.051131 0.928805 -1.717143
H -3.676196 1.449282 -2.217824
H -3.865934 2.959224 -0.237126
H -2.388906 3.357495 -1.146512
H 0.243508 -3.439938 0.525428
H 3.689098 -1.624938 -0.316665
H 0.305579 0.945648 -1.209475
H 5.072736 0.402573 0.289743
H 1.691186 2.977051 -0.621923
H -2.035178 -2.927588 4.372379
H -2.090356 -1.285139 3.631932
H -0.527213 -2.190510 3.713830
H 5.376712 2.876852 0.105402
H 3.999674 3.938965 -0.308361
H 4.165000 3.292802 1.342125


