%chk=000191168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191168

1 1
S -1.084823 2.408706 -1.417515
S 5.011163 0.045330 -1.472240
O 1.233519 -0.297767 1.502094
O -4.906091 0.259555 -1.516557
O -2.758521 -1.390917 1.988357
O -1.001336 -2.153341 0.823769
O 3.831393 2.337699 0.242290
O -6.104876 0.903313 0.290424
N -0.714330 0.959969 0.867007
N 1.849034 1.850721 -0.789208
N 2.418397 -2.969838 0.686006
C -0.452173 2.313319 0.273537
C 1.074165 2.051016 0.426653
C 0.679052 0.652893 1.044085
C -1.792717 0.129037 0.473893
C -2.771920 0.511666 -0.381736
C -2.769275 1.816304 -1.094402
C -3.947141 -0.394813 -0.657146
C -1.759363 -1.238719 1.087283
C 3.257264 1.936819 -0.742658
C 3.947548 1.408435 -1.979837
C -6.009567 0.876453 -0.907817
C 3.961015 -1.131560 -0.734726
C -6.889253 1.404206 -1.975350
C 2.601731 -1.286620 -1.019977
C 4.558063 -1.971088 0.229917
C 1.832876 -2.191910 -0.282769
C 3.778666 -2.880812 0.930124
C 1.582942 -3.883983 1.495806
H -0.851754 3.135401 0.910235
H 1.602217 2.727863 1.146887
H -3.349279 2.577078 -0.521033
H -3.281746 1.735637 -2.087370
H 1.344606 1.657662 -1.653389
H -4.445727 -0.709362 0.290120
H -3.656434 -1.282000 -1.257137
H 3.283732 1.152664 -2.826292
H 4.633424 2.198836 -2.387094
H -2.771309 -2.293355 2.428867
H -7.884352 0.922832 -1.934941
H -7.064189 2.486971 -1.851411
H -6.490463 1.238224 -2.990114
H 2.110423 -0.704497 -1.805035
H 5.631686 -1.894682 0.458527
H 0.733371 -2.280246 -0.430360
H 4.212636 -3.534051 1.704681
H 1.637474 -4.921561 1.112347
H 1.889769 -3.885313 2.560106
H 0.510174 -3.570073 1.482101


%chk=000191168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191168

1 1
S -1.108879 3.192845 -0.404873
S 4.587711 0.135838 -2.310515
O 1.068259 -0.628145 1.597283
O -4.629432 -0.232080 -0.458373
O -3.219806 -1.318054 2.130265
O -1.484598 -1.805581 0.670834
O 3.962251 1.824734 0.381044
O -4.408759 1.423001 -2.081363
N -0.722784 1.012546 1.294182
N 1.757174 1.938043 -0.355642
N 2.039025 -2.991379 -0.067715
C -0.283134 2.428759 1.096303
C 1.192689 1.915821 0.989426
C 0.602397 0.500639 1.366483
C -2.035809 0.527123 1.153093
C -3.056540 1.350312 0.723788
C -2.843760 2.790096 0.287824
C -4.483107 0.837392 0.590081
C -2.194036 -0.965109 1.276523
C 3.128950 1.837642 -0.564129
C 3.537716 1.707374 -2.040178
C -4.621209 0.224699 -1.790269
C 3.552733 -1.120068 -1.520620
C -4.926996 -0.899698 -2.748626
C 2.135109 -1.125340 -1.585244
C 4.189780 -2.146397 -0.768523
C 1.400766 -2.049476 -0.836884
C 3.415036 -3.060766 -0.054182
C 1.236118 -3.906746 0.795645
H -0.486026 3.056859 1.977071
H 1.921332 2.325730 1.704288
H -3.026238 3.506550 1.108648
H -3.527372 3.012733 -0.547594
H 1.099595 1.980042 -1.141542
H -5.162065 1.668400 0.335307
H -4.822290 0.329696 1.502917
H 2.695569 1.724550 -2.750254
H 4.248611 2.508099 -2.303986
H -3.364769 -2.303711 2.127559
H -6.023196 -1.009771 -2.841058
H -4.522860 -0.662761 -3.743943
H -4.526044 -1.857280 -2.381729
H 1.587881 -0.409140 -2.200703
H 5.278452 -2.193767 -0.688547
H 0.309599 -2.039766 -0.790640
H 3.861580 -3.835217 0.572719
H 1.164791 -4.900438 0.322950
H 1.721684 -3.991993 1.779519
H 0.234604 -3.474741 0.932380


