%chk=000174424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174424

0 1
 S   -7.390300      0.7183000     -6.8599999E-02
 O  -0.6116000       1.532900     -3.4400001E-02
 O   -7.498300       2.039000     -0.6855000    
 O   -8.056200     -0.4312000     -0.6753000    
 O    4.774200      -2.883500      4.3800000E-02
 O    6.909300       2.889000     -0.5451000    
 O    5.032800       3.272500      0.5423000    
 N   -1.616200     -0.6367000     -2.0000000E-02
 N   -1.141200      -1.956800     -4.8000002E-03
 N    1.814200     -7.0900001E-02 -1.8000000E-03
 N   -7.946900      0.8612000       1.554200    
 N    2.717200      -1.126500      1.3900000E-02
 N    5.858300       2.518400      2.4999999E-03
 C   -2.965400     -0.3203000     -3.1500001E-02
 C   -5.690700      0.3192000     -5.4499999E-02
 C   -3.377600       1.017100     -4.6300001E-02
 C   -3.929800      -1.334800     -2.8300000E-02
 C  -0.6144000      0.3243000     -2.2200000E-02
 C   0.1553000      -1.920000      3.0000000E-03
 C   0.6050000     -0.5160000     -6.2000002E-03
 C   -4.735500       1.335800     -5.7599999E-02
 C   -5.287800      -1.016100     -3.9700001E-02
 C    1.089200      -3.068800      1.9900000E-02
 C    3.928600     -0.6808000      1.8500000E-02
 C    4.290800      0.7516000      8.2000000E-03
 C    5.580600       1.130100      1.3200000E-02
 C    5.041400      -1.692100      3.4600001E-02
 C    6.639100      0.1327000      2.8700000E-02
 C    6.425700      -1.187500      3.8899999E-02
 H   -2.715300       1.870100     -4.7699999E-02
 H   -3.649300      -2.384900     -1.4800000E-02
 H   -5.026500       2.382700     -6.0300000E-02
 H   -6.012200      -1.825500     -2.7600000E-02
 H    1.690700      -3.079300      0.9321000    
 H    1.703600      -3.095500     -0.8834000    
 H   0.4984000      -3.991900      2.3900000E-02
 H   -8.573900      0.1261000       1.903300    
 H   -8.180400       1.803300       1.890600    
 H    3.496300       1.489500     -1.9099999E-02
 H    7.666700      0.4860000      4.1299999E-02
 H    7.240300      -1.900900      5.4000001E-02


%chk=000174424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174424

0 1
S -7.510594 0.859137 -0.210319
O -0.683241 1.371174 1.721124
O -7.711491 2.452679 0.059529
O -8.039952 0.094388 -1.547834
O 5.196493 -2.274950 2.167648
O 6.961149 1.957411 -2.179016
O 4.721067 2.408651 -2.130271
N -1.584631 -0.382133 0.338463
N -1.086181 -1.550512 -0.315994
N 1.840257 -0.220799 1.247325
N -8.279260 -0.016786 1.216623
N 2.956209 -0.841701 1.345479
N 5.763781 1.758329 -1.736830
C -2.973927 -0.079488 0.222497
C -5.682349 0.474802 -0.023264
C -3.511031 1.077273 0.849778
C -3.802406 -0.946417 -0.538458
C -0.571828 0.317837 1.046000
C 0.223022 -1.638008 -0.080164
C 0.655169 -0.519616 0.771429
C -4.886487 1.356039 0.723151
C -5.175888 -0.667339 -0.662914
C 1.069218 -2.754982 -0.608617
C 4.151161 -0.540766 0.806873
C 4.318524 0.480231 -0.202783
C 5.584273 0.701216 -0.709306
C 5.325338 -1.354745 1.299897
C 6.753197 -0.042371 -0.273981
C 6.624574 -1.016220 0.689074
H -2.863649 1.743171 1.423118
H -3.364009 -1.821519 -1.021300
H -5.322524 2.252120 1.175506
H -5.833189 -1.305838 -1.261148
H 1.622602 -3.256947 0.206203
H 1.815560 -2.386334 -1.337108
H 0.432692 -3.499175 -1.112525
H -8.956478 -0.700895 0.839824
H -8.714669 0.692243 1.830029
H 3.474399 1.085674 -0.549956
H 7.716593 0.204981 -0.728173
H 7.486707 -1.590018 1.042592


