%chk=000093993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093993

0 1
 S  -0.8061000     -0.1171000      -2.360100    
 S    6.909700       1.751300     -0.4217000    
 O  -0.6094000      -3.435100      0.8904000    
 O   -4.329100       1.993200     -8.0300003E-02
 O   -3.309600      -1.185200       2.243300    
 O    3.075800     -0.5425000      -1.624000    
 O   -3.978500      -2.733400      0.6987000    
 O   -6.633500       2.141600     -9.8000001E-03
 N   -1.224500      -1.363500     -5.3399999E-02
 N    1.981000      -1.736400      3.7000000E-02
 N    4.901800       1.128500       1.082600    
 N    5.799400       3.285500       1.445900    
 C  -0.2047000     -0.5725000     -0.7178000    
 C   0.6870000      -1.831000     -0.6379000    
 C  -0.4425000      -2.421100      0.2538000    
 C   -2.512800     -0.9615000      9.6600004E-02
 C   -3.017700      7.4699998E-02 -0.6145000    
 C   -2.235500      0.8074000      -1.702300    
 C   -4.410900      0.6318000     -0.4459000    
 C    3.083200      -1.089100     -0.5239000    
 C   -3.352300      -1.742600       1.017100    
 C    4.299600      -1.145700      0.3826000    
 C    5.166000      6.7199998E-02  0.2543000    
 C   -5.523100       2.641200      0.1100000    
 C    6.203700      0.2018000     -0.6265000    
 C    5.765500       2.082300      0.8136000    
 C   -5.282700       4.070300      0.4923000    
 H   0.1407000      0.2689000     -0.1045000    
 H   0.7866000      -2.398000      -1.573500    
 H   -1.882900       1.770000      -1.316300    
 H   -2.888300       1.008500      -2.558300    
 H    2.099000      -2.170000      0.9497000    
 H   -4.953900      0.5336000      -1.394300    
 H   -4.978600      9.0599999E-02  0.3182000    
 H    3.988100      -1.249500       1.428900    
 H    4.865100      -2.048800      0.1237000    
 H   -3.858900      -1.675800       2.891200    
 H    6.577200     -0.5003000      -1.358400    
 H   -4.737900       4.580000     -0.3062000    
 H   -4.721800       4.113000       1.429300    
 H   -6.242600       4.574200      0.6366000    
 H    6.483500       3.995800       1.207000    
 H    5.140900       3.521600       2.180900    


%chk=000093993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093993

0 1
S -1.294710 -0.343265 -2.335241
S 6.059412 1.955565 0.855370
O 0.013053 -2.837048 1.373461
O -4.488460 2.223026 0.194026
O -1.362092 -0.766769 3.029125
O 2.900238 -2.234035 -2.551861
O -3.628724 -1.061634 2.616237
O -5.836716 1.889142 -1.688021
N -0.821529 -0.761428 0.371182
N 2.262265 -1.269307 -0.523100
N 4.196439 0.040068 0.945381
N 4.047603 1.578542 2.772411
C -0.124863 -0.296319 -0.850483
C 0.856463 -1.519051 -0.714770
C 0.016544 -1.912304 0.548911
C -2.115512 -0.398521 0.795176
C -2.972318 0.292279 -0.039794
C -2.600819 0.714985 -1.452355
C -4.353747 0.734025 0.383403
C 3.201553 -1.663186 -1.462420
C -2.480541 -0.784432 2.193817
C 4.673138 -1.425457 -1.059627
C 4.972927 -0.209123 -0.212544
C -5.305798 2.663187 -0.859887
C 5.993250 0.690404 -0.441614
C 4.614076 1.107945 1.614106
C -5.443225 4.168356 -0.820126
H 0.324449 0.704363 -0.758281
H 0.738124 -2.244454 -1.540878
H -2.240225 1.759775 -1.456302
H -3.494195 0.672647 -2.099431
H 2.626672 -0.802897 0.331274
H -5.125642 0.244813 -0.240951
H -4.562812 0.553789 1.444798
H 4.993243 -2.336523 -0.512990
H 5.255496 -1.395192 -1.993655
H -1.616653 -1.130394 3.919676
H 6.715903 0.718453 -1.253330
H -4.460841 4.644318 -0.665840
H -6.086632 4.458618 0.029755
H -5.899355 4.524926 -1.754738
H 4.395438 2.408844 3.242145
H 3.275123 1.057168 3.182088


