%chk=000091972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091972

0 1
 S   -4.444000      -1.277500     -0.1259000    
 O   -4.954500      -1.560000       1.401300    
 O   -5.604700     -0.8398000     -0.8875000    
 O   -3.661600      -2.424500     -0.5599000    
 N   0.8555000      0.5877000     -0.5644000    
 N   0.2597000      0.6943000      0.5332000    
 N    6.317000     -0.3022000      0.2981000    
 C    4.058200      -1.170300     -1.9099999E-02
 C   -3.342300      7.1300000E-02  1.0000000E-03
 C    4.937600     -9.2100002E-02  8.0899999E-02
 C    2.218400      0.3605000     -0.3488000    
 C    2.698800     -0.9441000     -0.2340000    
 C   -1.109900      0.9229000      0.3161000    
 C   -1.983000     -0.1558000      0.2164000    
 C   -3.821700       1.376200     -0.1139000    
 C    4.457300       1.212400     -3.3799998E-02
 C    3.097700       1.438600     -0.2486000    
 C   -1.582400       2.226600      0.2024000    
 C    4.545600      -2.577800      9.9799998E-02
 C   -2.941700       2.453700     -1.3300000E-02
 H    2.007100      -1.779700     -0.3141000    
 H   -1.595800      -1.166500      0.3163000    
 H   -4.877000       1.577200     -0.2747000    
 H    5.131400       2.061800      4.1999999E-02
 H    2.733100       2.458700     -0.3373000    
 H  -0.9041000       3.072000      0.2808000    
 H    5.273800      -2.800000     -0.6872000    
 H    5.004900      -2.744000       1.079900    
 H    3.729000      -3.301200     -1.3000000E-03
 H   -3.315100       3.469900     -0.1009000    
 H    6.938900      0.4926000      0.3684000    
 H    6.694300      -1.235400      0.3860000    
 H   -5.445100     -0.8179000       1.827100    


%chk=000091972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091972

0 1
S -4.439772 -1.195466 -0.147793
O -4.598677 -1.375427 1.699706
O -5.901283 -0.847870 -0.752989
O -3.607511 -2.463453 -0.711758
N 0.780627 0.175320 0.001799
N 0.243081 1.375934 -0.005846
N 6.391609 -0.341965 0.149287
C 4.162469 -1.357978 0.082393
C -3.366135 0.352732 -0.095860
C 5.011357 -0.198224 0.113174
C 2.191895 0.139377 0.039498
C 2.773696 -1.161167 0.046126
C -1.187118 1.367093 -0.043511
C -1.983541 0.183928 -0.058946
C -4.033968 1.591339 -0.120925
C 4.431784 1.111837 0.106584
C 3.047228 1.283263 0.070417
C -1.819351 2.639146 -0.062631
C 4.769138 -2.748126 0.088945
C -3.225210 2.750875 -0.104751
H 2.093011 -2.019492 0.021210
H -1.501327 -0.798427 -0.053748
H -5.125984 1.640346 -0.165407
H 5.094181 1.986269 0.130358
H 2.595444 2.279592 0.065119
H -1.180448 3.527836 -0.049062
H 5.422607 -2.918082 -0.790720
H 5.377415 -2.929272 0.998291
H 3.983134 -3.520017 0.064083
H -3.696677 3.738360 -0.123456
H 6.997056 0.474508 0.170521
H 6.825515 -1.260645 0.153474
H -5.148850 -2.194544 1.871418


