%chk=000121717.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121717

1 1
 S   -3.357400       2.612600      -1.045900    
 S   0.7392000      -4.986300      0.4377000    
 S    1.593100      0.3758000     -0.1897000    
 O   0.9021000      -6.004100     -0.8266000    
 O  -7.4100003E-02  -5.630200       1.453200    
 O    2.039500      -4.422400      0.7521000    
 N   -2.818800      0.4785000      0.1566000    
 N    3.452100       2.213200      0.3921000    
 C   -2.089400     -0.5689000      0.8403000    
 C   -1.545700      -1.628600     -0.1156000    
 C  -0.7228000      -2.701700      0.5982000    
 C   -4.173400      0.4070000     -7.7799998E-02
 C   -2.254700       1.565700     -0.2885000    
 C  -0.2304000      -3.758700     -0.3790000    
 C   -4.662600       1.521700     -0.7475000    
 C  -0.8692000       1.883000     -0.1723000    
 C   -5.025700     -0.6436000      0.2906000    
 C    2.075400       1.983500      0.4259000    
 C  -0.3290000       2.538300      0.8776000    
 C    4.154900       1.108100     -0.1255000    
 C   -6.021100       1.631900      -1.075900    
 C    4.172100       3.399300      0.8137000    
 C    1.107300       2.808500      0.8549000    
 C    3.323900      2.5800001E-02 -0.4931000    
 C   -6.381400     -0.5380000     -3.4899998E-02
 C   -6.869800      0.5820000     -0.7072000    
 C    5.530400      0.9896000     -0.3004000    
 C   -1.103600       2.998500       2.089200    
 C    3.836100      -1.150400      -1.023200    
 C    4.331300       4.355700     -0.3526000    
 C    6.056200     -0.1922000     -0.8339000    
 C    5.215500      -1.253600      -1.192500    
 H   -2.726700      -1.035800       1.599900    
 H   -1.266900     -0.1369000       1.421700    
 H  -0.9440000      -1.156100     -0.8992000    
 H   -2.387600      -2.105200     -0.6333000    
 H   0.1289000      -2.239000       1.109900    
 H   -1.335900      -3.171800       1.376800    
 H   -1.080700      -4.267600     -0.8449000    
 H   0.3907000      -3.313500      -1.162700    
 H  -0.3222000       1.736700      -1.098600    
 H   -4.678200      -1.533100      0.8054000    
 H   -6.409000       2.500000      -1.599000    
 H    5.145800       3.162000       1.256400    
 H    3.622700       3.909400       1.614000    
 H    1.377200       3.785300       1.250500    
 H   -7.062100      -1.340200      0.2379000    
 H   -7.927800      0.6416000     -0.9501000    
 H    6.216900       1.789500     -4.4399999E-02
 H   -1.078500       4.091300       2.158900    
 H   -2.153000       2.691700       2.079000    
 H  -0.6558000       2.585600       2.999800    
 H    3.188100      -1.975300      -1.301300    
 H    4.910000       3.905800      -1.165800    
 H    3.358300       4.651000     -0.7598000    
 H    4.851800       5.262900     -3.0099999E-02
 H    7.129700     -0.2877000     -0.9738000    
 H    5.643100      -2.163100      -1.605300    
 H   8.7300003E-02  -6.497200      -1.082200    


%chk=000121717-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121717

1 1
S -2.933096 1.997819 -2.081397
S -0.434996 -5.344531 2.150647
S 2.124351 1.025124 -1.786462
O -0.234201 -6.709906 0.912838
O -1.363040 -5.827655 3.383368
O 0.985900 -4.629525 2.450160
N -2.814646 0.546625 0.134644
N 3.822083 2.031699 -0.022509
C -2.265405 -0.448366 1.100206
C -2.203480 -1.872286 0.495280
C -1.540522 -2.840604 1.506008
C -4.173102 0.453070 -0.286016
C -2.010703 1.363275 -0.642621
C -1.441026 -4.252633 0.925401
C -4.430757 1.156615 -1.491227
C -0.652211 1.715902 -0.476220
C -5.213798 -0.247332 0.363625
C 2.459262 1.819869 -0.182708
C 0.067786 1.958618 0.726567
C 4.641339 1.628400 -1.109260
C -5.705203 1.169297 -2.082952
C 4.402629 2.685845 1.183092
C 1.480216 2.130590 0.780101
C 3.902857 1.044633 -2.170595
C -6.497304 -0.231361 -0.220694
C -6.743262 0.464573 -1.431947
C 6.045711 1.755465 -1.215963
C -0.661165 2.202832 2.045100
C 4.520803 0.573323 -3.339751
C 4.424929 4.222661 1.067879
C 6.673670 1.284073 -2.387460
C 5.925498 0.697542 -3.439628
H -2.883373 -0.428553 2.016193
H -1.252179 -0.133612 1.379234
H -1.610056 -1.838409 -0.438591
H -3.215512 -2.227439 0.229225
H -0.523153 -2.479579 1.754154
H -2.122499 -2.864447 2.447928
H -2.397850 -4.788681 0.832460
H -0.853374 -4.317099 -0.003502
H -0.152300 1.978902 -1.417156
H -5.042666 -0.780077 1.303613
H -5.895724 1.711883 -3.013163
H 5.421278 2.285310 1.313113
H 3.830655 2.359076 2.067241
H 1.861406 2.533679 1.725091
H -7.316715 -0.762228 0.273307
H -7.747295 0.463210 -1.866304
H 6.643020 2.211410 -0.421837
H -0.349193 3.180505 2.456516
H -1.755106 2.232936 1.927703
H -0.406064 1.445328 2.810293
H 3.940387 0.123924 -4.150556
H 5.023815 4.549822 0.200705
H 3.406871 4.634054 0.957591
H 4.874744 4.656890 1.977713
H 7.759690 1.376696 -2.483992
H 6.436185 0.339883 -4.338439
H 0.187992 -7.496734 1.363652


