%chk=000299800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299800

0 1
S 1.142600 -0.247269 1.715844
S -0.962601 -0.181570 1.824785
O 1.516006 -0.837842 -2.060284
O -1.684510 1.271645 -1.655858
C 0.746744 0.221567 -0.027311
C -0.738645 -0.225136 -0.009039
C 0.972445 1.681878 -0.312155
C -1.006691 -1.580694 -0.605011
C 1.711657 -0.614519 -0.892771
C -1.771509 0.779364 -0.559813
C 0.963839 2.108532 -1.654536
C -1.129694 -1.681344 -2.004535
C 1.188567 2.622864 0.702717
C -1.136630 -2.735385 0.177325
C 2.918247 -1.087547 -0.146101
C -2.896689 1.051181 0.387394
C 1.185795 3.448076 -1.972281
C -1.395761 -2.911808 -2.604446
C 1.411650 3.966330 0.377995
C -1.404534 -3.967958 -0.430097
C 3.210666 -2.458988 -0.122602
C -3.169969 2.375686 0.758674
C 3.759939 -0.169573 0.499488
C -3.684001 -0.001701 0.876839
C 1.415122 4.381563 -0.955070
C -1.538545 -4.059822 -1.816901
C 4.335931 -2.913428 0.569382
C -4.219573 2.643036 1.640993
C 4.887599 -0.632958 1.184168
C -4.736570 0.276034 1.754366
C 5.171989 -2.001793 1.223926
C -5.000339 1.594322 2.140046
H 0.757610 1.386529 -2.452759
H -0.991685 -0.790401 -2.627557
H 1.181154 2.338465 1.756414
H -1.026502 -2.705323 1.262767
H 1.173518 3.766140 -3.014068
H -1.485484 -2.977083 -3.688111
H 1.580820 4.689631 1.174153
H -1.505973 -4.859322 0.187012
H 2.558443 -3.163302 -0.641634
H -2.561782 3.189122 0.359593
H 3.554546 0.902196 0.451982
H -3.496236 -1.030230 0.560609
H 1.590463 5.426894 -1.203264
H -1.748312 -5.020008 -2.284980
H 4.563163 -3.978159 0.596385
H -4.431103 3.669296 1.937750
H 5.544696 0.075402 1.686657
H -5.351287 -0.537484 2.136929
H 6.048820 -2.359314 1.762888
H -5.818206 1.806011 2.828101


%chk=000299800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299800

0 1
S 1.240869 -0.529081 2.053147
S -1.017487 0.022444 2.227614
O 1.123956 -1.034287 -1.859516
O -1.271869 1.430031 -1.446019
C 0.809543 0.133582 0.262410
C -0.767192 -0.201960 0.299817
C 1.167571 1.628123 0.121274
C -1.154283 -1.625764 -0.151248
C 1.631117 -0.690188 -0.757239
C -1.674788 0.827757 -0.413888
C 1.499599 2.149557 -1.158490
C -1.616409 -1.836818 -1.478696
C 1.183940 2.503817 1.236460
C -1.072385 -2.738245 0.724067
C 3.045842 -1.056372 -0.412035
C -3.048372 1.080205 0.138560
C 1.846868 3.507911 -1.314151
C -1.995469 -3.124432 -1.912514
C 1.519349 3.866572 1.076112
C -1.440997 -4.028823 0.283764
C 3.592345 -2.215501 -1.027439
C -3.644925 2.340978 -0.136491
C 3.855349 -0.286417 0.470055
C -3.775112 0.112728 0.888330
C 1.857626 4.375010 -0.198434
C -1.909393 -4.228416 -1.034693
C 4.913221 -2.614730 -0.747946
C -4.932018 2.641354 0.348605
C 5.182429 -0.686665 0.740084
C -5.069306 0.416124 1.365022
C 5.711618 -1.851929 0.140097
C -5.647430 1.679222 1.103863
H 1.457821 1.502910 -2.038967
H -1.652430 -1.001871 -2.183629
H 0.946591 2.116554 2.230599
H -0.732529 -2.592268 1.752508
H 2.100737 3.888066 -2.309722
H -2.350317 -3.263645 -2.939577
H 1.521769 4.527539 1.950229
H -1.366968 -4.875814 0.975194
H 2.960088 -2.787255 -1.714642
H -3.077413 3.067578 -0.727161
H 3.474509 0.644005 0.903413
H -3.358988 -0.885517 1.057740
H 2.127085 5.430333 -0.319383
H -2.203948 -5.228707 -1.371713
H 5.323223 -3.515557 -1.217278
H -5.379968 3.619316 0.141733
H 5.804018 -0.083192 1.410077
H -5.627950 -0.337157 1.930644
H 6.740779 -2.160605 0.355133
H -6.650720 1.911305 1.478317


