%chk=000130034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130034

0 1
 S   -1.312200     -0.1043000     -0.5510000    
 O    2.470700      -2.458200      0.6755000    
 O   -4.752300      -1.910100     -0.1069000    
 O    3.929200       3.886600      0.3550000    
 N    4.873400      -1.041900     -0.2640000    
 N    1.215400     -0.6648000     -0.1389000    
 N   -4.224700      0.1869000     -0.8840000    
 N  -0.4308000      -2.334900      0.4135000    
 N    5.712700       2.406000     -0.1351000    
 N   -4.583600       2.414200       1.398200    
 N   -5.876300       3.612300     -0.1720000    
 C    3.640700     -0.5211000      3.2200001E-02
 C    5.130900       1.159700     -0.1244000    
 C    3.771800      0.8470000      0.1248000    
 C    5.789100     -2.6799999E-02 -0.3618000    
 C    2.416100      -1.320900      0.2133000    
 C   -5.582300      0.5659000      -1.170900    
 C   -2.459600      -1.313700     -0.1482000    
 C    5.177800      -2.443300     -0.4516000    
 C   -1.807600      -2.423200      0.3474000    
 C  -5.8699999E-02  -1.156200     -3.4100000E-02
 C   -6.259800       1.234600      1.7800000E-02
 C   -3.892800      -1.062700     -0.3559000    
 C   -2.445500      -3.674900      0.8045000    
 C   -5.539000       2.508300      0.4206000    
 C    5.097600       3.635500      9.6000001E-02
 H    2.971500       1.536200      0.3553000    
 H    6.827300     -0.2298000     -0.5904000    
 H   -6.152400     -0.3186000      -1.474400    
 H   -5.545400       1.251200      -2.024700    
 H    6.191700      -2.544300     -0.8480000    
 H    4.467700      -2.866700      -1.166400    
 H    5.109900      -2.944300      0.5170000    
 H   -6.288900      0.5543000      0.8769000    
 H   -7.295200       1.484300     -0.2410000    
 H    1.271600      0.2759000     -0.5198000    
 H   -3.486900      0.8578000      -1.078200    
 H    6.709600       2.420300     -0.3367000    
 H   -3.000300      -4.148100     -1.1800000E-02
 H   -1.697200      -4.391800       1.158300    
 H   -3.135900      -3.479500       1.631100    
 H    5.846900       4.441500      1.3300000E-02
 H   -4.072300       3.231800       1.712600    
 H   -4.348200       1.528300       1.833100    
 H   -5.309200       4.377400      0.2094000    


%chk=000130034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130034

0 1
S -1.314980 0.002183 -0.457823
O 2.633974 -2.643455 -0.432204
O -4.628331 -2.335188 0.085800
O 4.020621 3.703366 0.797033
N 5.072798 -1.017462 -0.547845
N 1.384204 -0.646584 -0.209683
N -4.426615 -0.059694 -0.397473
N -0.272789 -2.380478 0.207168
N 5.922261 2.418712 0.271388
N -6.304273 3.742309 0.771098
N -4.454374 2.670189 -0.351550
C 3.792673 -0.524623 -0.244413
C 5.308647 1.169898 0.007952
C 3.923090 0.840128 0.107554
C 5.996012 0.006881 -0.400225
C 2.593926 -1.387096 -0.301312
C -5.872427 0.175276 -0.444005
C -2.417287 -1.410000 -0.089946
C 5.423327 -2.387995 -0.968863
C -1.666223 -2.551731 0.216567
C 0.090991 -1.154752 -0.110541
C -6.296513 1.293079 0.536806
C -3.896148 -1.303809 -0.126594
C -2.210209 -3.913155 0.560812
C -5.614930 2.638269 0.274514
C 5.267547 3.584716 0.640213
H 3.151829 1.532140 0.437140
H 7.055436 -0.154938 -0.590955
H -6.374067 -0.773261 -0.185181
H -6.173233 0.459083 -1.471944
H 6.503595 -2.417533 -1.187025
H 4.855579 -2.674564 -1.867903
H 5.177246 -3.110973 -0.176473
H -6.056628 0.978148 1.571344
H -7.395832 1.420615 0.481091
H 1.470763 0.370793 -0.256223
H -3.885016 0.820152 -0.506422
H 6.939862 2.467160 0.183798
H -2.800478 -4.324811 -0.275714
H -1.368812 -4.584642 0.792979
H -2.904578 -3.859758 1.416085
H 5.979849 4.428077 0.787398
H -5.906036 4.678636 0.718107
H -7.208149 3.633482 1.226505
H -4.051802 3.619110 -0.475432


