%chk=000198115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198115

0 1
S -2.668624 -0.663603 1.755267
P -3.057590 -0.240464 -0.055633
O 2.722166 1.278299 -0.262608
O -2.641124 1.382544 -0.510567
O -2.705268 -1.187984 -1.328895
O -4.639806 -0.024801 -0.431761
N 0.621060 0.179220 -0.213837
N -0.682565 0.274795 -0.280570
C 5.666266 -0.948612 0.289234
C 4.824419 0.306291 0.033414
C 7.163480 -0.612423 0.339125
C 3.341625 -0.042056 -0.013701
C 8.009980 -1.856955 0.594097
C 1.368720 1.322530 -0.332354
C 0.795555 2.616237 -0.541138
C -1.288036 1.488483 -0.473754
C -0.579654 2.706879 -0.615821
C -1.958325 -2.424045 -1.074081
C -5.421806 0.821554 0.475263
C -2.896651 -3.509490 -0.587504
C -6.797545 0.811967 -0.163993
H 5.358860 -1.426050 1.240557
H 5.478536 -1.701460 -0.501298
H 5.126430 0.793321 -0.916187
H 5.006174 1.066085 0.821031
H 7.355243 0.138722 1.130723
H 7.475345 -0.136234 -0.611358
H 3.067445 -0.710806 -0.846128
H 2.946000 -0.434230 0.938452
H 7.754242 -2.332794 1.547917
H 7.874858 -2.607759 -0.192920
H 9.077114 -1.608851 0.629019
H 1.449472 3.483449 -0.633032
H -1.111013 3.644345 -0.772825
H -1.101937 -2.245948 -0.393826
H -1.579591 -2.620390 -2.099148
H -4.978677 1.835147 0.496883
H -5.428690 0.370139 1.486842
H -2.487914 -4.506258 -0.793672
H -3.874246 -3.447492 -1.087848
H -3.081698 -3.458206 0.495508
H -7.508094 1.424080 0.401382
H -7.196464 -0.210185 -0.227605
H -6.755971 1.192409 -1.194650


%chk=000198115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198115

0 1
S -3.256697 -0.849840 2.011041
P -3.424366 -0.351367 0.017596
O 2.834895 1.390602 -0.067521
O -2.611990 1.205471 -0.436071
O -3.089707 -1.477150 -1.222868
O -4.962292 0.112725 -0.581615
N 0.823632 0.149207 -0.094792
N -0.548441 0.128284 -0.186649
C 5.885563 -0.895716 0.198802
C 5.037237 0.396187 0.132864
C 7.402825 -0.611587 0.283132
C 3.543677 0.081176 0.064781
C 8.250412 -1.901210 0.324437
C 1.459291 1.353830 -0.152826
C 0.777968 2.600371 -0.302513
C -1.234704 1.289248 -0.329861
C -0.612740 2.569266 -0.393068
C -2.110008 -2.590325 -0.974109
C -5.755011 1.109397 0.201093
C -2.833624 -3.833656 -0.459600
C -7.141141 1.127858 -0.434854
H 5.579687 -1.501054 1.077443
H 5.681985 -1.519771 -0.696171
H 5.323781 0.988589 -0.757537
H 5.239689 1.026935 1.019747
H 7.609655 -0.000747 1.185135
H 7.706461 0.004936 -0.587206
H 3.285611 -0.546786 -0.808544
H 3.174800 -0.429622 0.973396
H 7.987353 -2.521675 1.201839
H 8.083795 -2.513928 -0.581494
H 9.330264 -1.673026 0.384025
H 1.348721 3.531048 -0.340532
H -1.216940 3.471599 -0.507541
H -1.324179 -2.226921 -0.289141
H -1.670704 -2.746346 -1.973377
H -5.252541 2.091700 0.127969
H -5.786937 0.790620 1.261035
H -2.115159 -4.672341 -0.388019
H -3.644754 -4.129753 -1.146818
H -3.259530 -3.656258 0.542578
H -7.781407 1.862441 0.087854
H -7.615185 0.134540 -0.365482
H -7.077545 1.412446 -1.498556


