%chk=000083831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083831

0 1
 S   -2.435600      -1.962500      -1.018900    
 O   -3.024700       2.766800     -0.8046000    
 O    5.228400      5.9999999E-02  -1.207400    
 N   -1.631200       1.080200      3.3300001E-02
 N   -3.857600      0.8701000      0.2893000    
 N    5.960700      0.7577000      0.8563000    
 C   -1.785900     -0.1503000      0.7857000    
 C   -3.316500     -0.3331000      0.8904000    
 C   -1.157400      -1.380900      0.1261000    
 C   -3.768800      -1.583900      0.1405000    
 C   0.1717000      -1.147300     -0.5726000    
 C    1.243200     -0.6678000      0.4069000    
 C   -2.858100       1.698400     -0.2321000    
 C    2.572000     -0.4075000     -0.3092000    
 C    3.655500      0.1002000      0.6409000    
 C    5.004400      0.2998000     -2.4599999E-02
 H   -1.345600      2.8899999E-02   1.773200    
 H   -3.660500     -0.3588000       1.929800    
 H   -1.037600      -2.167200      0.8817000    
 H   -3.859200      -2.428200      0.8314000    
 H   -4.722000      -1.457300     -0.3811000    
 H   6.8099998E-02 -0.4214000      -1.389100    
 H   0.5128000      -2.083800      -1.033800    
 H  -0.7372000       1.501400     -0.1991000    
 H   -4.847100       1.094900      0.2580000    
 H    1.390900      -1.422400       1.189000    
 H   0.9297000      0.2547000      0.9068000    
 H    2.422400      0.3262000      -1.111300    
 H    2.912500      -1.332200     -0.7918000    
 H    3.789100     -0.6134000       1.463200    
 H    3.345300       1.057100       1.077900    
 H    6.912700      0.9292000      0.5502000    
 H    5.754800      0.9427000       1.832900    


%chk=000083831-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083831

0 1
S -2.444615 -1.868212 -1.254885
O -3.108256 2.881323 -0.724273
O 5.518259 -0.978834 -0.583176
N -1.726577 1.154425 0.161824
N -3.937803 0.883718 0.275514
N 6.000856 0.991521 0.537615
C -1.855012 -0.146052 0.822400
C -3.430574 -0.363155 0.854872
C -1.181204 -1.330902 0.066480
C -3.794787 -1.635561 0.039577
C 0.184492 -1.024678 -0.569840
C 1.274675 -0.637867 0.460864
C -2.943318 1.763950 -0.166878
C 2.654555 -0.441742 -0.204094
C 3.738692 0.019500 0.795113
C 5.145747 -0.040912 0.181401
H -1.444368 -0.107714 1.851774
H -3.789010 -0.488025 1.895930
H -1.088483 -2.179951 0.773109
H -3.820084 -2.524713 0.694310
H -4.762278 -1.530871 -0.476488
H 0.061838 -0.217981 -1.318522
H 0.525016 -1.919107 -1.127105
H -0.844119 1.618832 -0.030273
H -4.921801 1.091575 0.129222
H 1.351303 -1.430467 1.234307
H 0.985887 0.290816 0.997230
H 2.572388 0.297348 -1.025873
H 2.993717 -1.386921 -0.667152
H 3.737180 -0.661477 1.671096
H 3.515801 1.034978 1.177310
H 6.956256 0.977613 0.179945
H 5.704826 1.759844 1.136568


