%chk=000286915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286915

0 1
S 0.936318 -1.045360 1.015624
O 0.056306 -0.091899 -0.114816
O 0.444838 -2.387351 0.889881
O 0.882950 -0.333518 2.252450
O -6.203342 -0.479626 0.177313
O 6.484009 1.520761 -0.366495
O 4.997724 2.298567 1.004477
O -6.088098 1.533409 -0.842480
N 5.410007 1.476544 0.207055
C 2.471724 -0.880886 0.252425
C 3.288170 0.212225 0.548646
C -1.310158 0.003943 -0.108113
C 2.888455 -1.849960 -0.671869
C 4.530747 0.321867 -0.093666
C 4.129891 -1.731034 -1.305045
C 4.958109 -0.644291 -1.021883
C -1.811976 1.187000 -0.684119
C -2.147808 -1.007095 0.381448
C -4.051902 0.354643 -0.266299
C -3.189323 1.353709 -0.760384
C -3.527351 -0.818286 0.300152
C -5.506270 0.583692 -0.367168
C -7.652184 -0.380450 0.146264
H 2.979540 0.981921 1.276897
H 2.241708 -2.710329 -0.896927
H 4.451236 -2.488726 -2.023488
H 5.935526 -0.532381 -1.510744
H -1.121834 1.942349 -1.054782
H -1.748721 -1.936163 0.797919
H -3.616245 2.261397 -1.200569
H -4.209451 -1.588511 0.675961
H -7.971872 0.497090 0.717389
H -7.993212 -0.310621 -0.891539
H -7.964309 -1.316331 0.620685


%chk=000286915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286915

0 1
S 1.009769 -0.796328 1.230833
O -0.027677 -0.368734 -0.452619
O 0.672732 -2.302869 1.737573
O 0.923114 0.468868 2.244863
O -6.404607 -0.520474 -0.255322
O 6.532875 1.553646 -1.143458
O 4.865273 2.706867 -0.094802
O -6.109815 1.736485 0.246058
N 5.388526 1.623259 -0.554098
C 2.681652 -0.804386 0.369914
C 3.361091 0.413285 0.246384
C -1.385824 -0.153481 -0.286145
C 3.170746 -2.035131 -0.099232
C 4.616503 0.357667 -0.393918
C 4.434459 -2.043999 -0.734220
C 5.163651 -0.846035 -0.888772
C -1.864387 1.150472 0.033044
C -2.296344 -1.230521 -0.489516
C -4.160789 0.309424 -0.111354
C -3.247769 1.376416 0.112172
C -3.678774 -0.994408 -0.412255
C -5.619433 0.610342 -0.015700
C -7.868709 -0.305223 -0.175765
H 2.963404 1.357023 0.631250
H 2.589584 -2.951735 0.042836
H 4.846332 -2.985729 -1.108316
H 6.141532 -0.825622 -1.376978
H -1.141773 1.954110 0.203591
H -1.896526 -2.224007 -0.714204
H -3.648979 2.367250 0.347127
H -4.395994 -1.802658 -0.575970
H -8.147400 0.047191 0.831417
H -8.184220 0.444267 -0.920847
H -8.309020 -1.288935 -0.389370


