%chk=000184287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184287

0 1
S -1.226704 -0.210538 -0.276648
O -3.396702 -1.977890 -2.419456
O 1.442583 -0.185075 2.182867
O 3.391732 -1.924352 -0.867071
O 7.688593 1.650102 0.403961
O -1.044986 -2.942216 -1.682051
O 6.829702 2.422901 -1.517012
O 0.248832 -1.201014 -2.286011
N 1.522202 -1.606088 0.399635
N -0.633202 -1.693427 3.405270
N 4.581104 3.014943 0.319810
C -2.866639 -0.042825 -1.067067
C -3.556111 -1.420030 -1.098373
C -3.610674 1.076196 -0.406851
C -4.935522 0.902627 0.044782
C -1.567156 -0.492249 1.484271
C -0.539720 -1.533153 1.937169
C -5.011145 -1.422284 -0.730193
C -5.626323 -0.371656 -0.176805
C -2.991768 2.329007 -0.260462
C 0.869015 -1.030764 1.519717
C -5.603947 1.967715 0.674224
C 3.374630 0.115865 0.433403
C 4.627058 0.536189 -0.334932
C 2.835021 -1.185155 -0.089096
C -3.665508 3.380362 0.361442
C 5.324474 1.734157 0.339066
C -4.969931 3.198421 0.837197
C 0.878539 -2.679880 -0.391203
C 6.634309 2.002885 -0.404705
C 0.037650 -2.117527 -1.530250
H -2.615898 0.256552 -2.126601
H -3.009725 -2.186624 -0.481343
H -1.470487 0.462019 2.041384
H -2.599143 -0.849724 1.669009
H -0.768153 -2.533201 1.468829
H -5.522371 -2.364933 -0.931127
H -6.677464 -0.416234 0.117928
H -1.975930 2.486675 -0.629695
H -6.623548 1.830640 1.033221
H 2.588867 0.904558 0.382664
H 3.582751 0.016990 1.528055
H 5.330975 -0.323306 -0.405497
H 4.369083 0.774594 -1.389155
H -3.174761 4.346558 0.476910
H -3.907879 -1.479890 -3.089264
H 5.563514 1.485439 1.412916
H -5.489789 4.020064 1.328379
H 0.259574 -3.346531 0.257266
H 1.673237 -3.337598 -0.846996
H 0.001527 -2.412754 3.741537
H -0.399154 -0.826919 3.890124
H 4.292451 3.264697 -0.624375
H 3.748883 2.960532 0.899579
H 8.573770 1.815383 -0.018414
H -1.665737 -2.660636 -2.437963


%chk=000184287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184287

0 1
S -1.694361 1.194443 -0.619394
O -2.707278 -1.458268 -2.132569
O 1.430733 0.861676 1.138668
O 3.711663 -2.218130 -0.560295
O 8.264958 0.406081 0.683691
O -1.061744 -3.133307 -1.056844
O 8.108167 1.619897 -1.290379
O 0.188446 -1.489739 -2.123259
N 1.736146 -1.317070 0.283213
N -0.453648 -1.001192 2.743681
N 5.599321 2.544493 -0.528771
C -3.479879 0.602405 -0.949957
C -3.555125 -0.937651 -1.031798
C -4.550705 1.184572 -0.022529
C -5.822046 0.524575 0.022875
C -1.406825 0.632165 1.178693
C -0.500531 -0.607531 1.321783
C -4.974108 -1.411294 -1.266224
C -6.022499 -0.725557 -0.733073
C -4.376343 2.394958 0.679446
C 0.954954 -0.276362 0.858500
C -6.878121 1.100011 0.773923
C 3.886067 0.083218 0.221572
C 5.364410 -0.000510 -0.194770
C 3.144608 -1.214074 -0.051291
C -5.434339 2.953315 1.436413
C 6.104304 1.346977 0.137631
C -6.688802 2.305480 1.483180
C 1.091933 -2.592703 -0.116468
C 7.569333 1.179294 -0.252145
C 0.062488 -2.351514 -1.217084
H -3.650065 0.998142 -1.974551
H -3.181536 -1.372355 -0.075646
H -0.943567 1.499234 1.677061
H -2.386181 0.424830 1.637247
H -0.947325 -1.441853 0.762290
H -5.102768 -2.345990 -1.821590
H -7.046353 -1.102559 -0.842946
H -3.408666 2.905925 0.624650
H -7.851401 0.595206 0.800121
H 3.363570 0.900585 -0.310712
H 3.782792 0.344267 1.292459
H 5.861557 -0.833946 0.334049
H 5.442357 -0.205497 -1.278497
H -5.277436 3.890613 1.980946
H -1.926866 -0.843824 -2.280189
H 6.065652 1.485724 1.235979
H -7.511628 2.736955 2.063185
H 0.619801 -3.103667 0.737274
H 1.904264 -3.236700 -0.502063
H -0.290726 -1.989364 2.945385
H 0.049362 -0.355283 3.357660
H 5.940068 2.696357 -1.479712
H 4.630286 2.803289 -0.350656
H 9.200350 0.271582 0.369823
H -1.822723 -2.738728 -1.645987


