%chk=000279775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279775

0 1
S 0.611331 0.781501 -1.053774
O -0.250381 1.039451 0.094955
O 0.665372 1.750501 -2.130477
O -5.672397 -1.352767 -1.239582
O -5.491024 -1.803937 0.944420
N 0.117714 -0.670037 -1.832308
N -4.320244 0.945670 0.854038
C -2.629747 -0.829325 0.146705
C -2.119040 -1.605760 -1.067807
C -3.978882 -0.133907 -0.113480
C -0.583679 -1.737351 -1.079801
C 2.189238 0.416529 -0.475485
C -5.100198 -1.163060 -0.000346
C 3.264442 0.334835 -1.367834
C 2.404325 0.214648 0.893431
C -3.448634 2.141113 0.677606
C 4.763974 -0.163574 0.474072
C 4.545626 0.044114 -0.899203
C 3.681756 -0.076404 1.368750
C 6.129768 -0.487687 0.977358
H -2.694353 -1.491106 1.031298
H -1.886990 -0.037340 0.431600
H -2.573311 -2.616853 -1.080640
H -2.467146 -1.128843 -2.006505
H -3.993513 0.308762 -1.149314
H -0.187554 -1.785973 -0.041372
H -0.303574 -2.706744 -1.559224
H -0.247624 -0.569963 -2.789594
H -4.232041 0.593675 1.816625
H 3.106048 0.506066 -2.437896
H 1.566078 0.294181 1.596399
H -3.687091 2.631547 -0.280509
H -3.668707 2.862922 1.479325
H -2.360329 1.928069 0.686447
H 5.377158 -0.018394 -1.598981
H 3.841902 -0.232134 2.434131
H 6.293204 -1.577223 0.985972
H 6.923820 -0.050382 0.355417
H 6.297115 -0.131174 2.003726
H -6.426212 -1.998149 -1.222544


%chk=000279775-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279775

0 1
S 0.607809 0.002609 0.424691
O 0.197431 -0.444528 1.937525
O 0.086243 1.414903 -0.223964
O -5.695687 -1.677470 -1.354655
O -5.965214 -0.884985 0.809619
N 0.122676 -1.454294 -0.678721
N -4.607037 1.456223 -0.157367
C -2.886292 -0.442894 -0.022687
C -2.432464 -1.791190 -0.626023
C -4.219748 0.113529 -0.629666
C -1.030129 -2.246373 -0.160338
C 2.480272 -0.017019 0.274755
C -5.370675 -0.827238 -0.289372
C 3.080750 0.909127 -0.589788
C 3.204219 -0.936002 1.052159
C -3.706394 2.564532 -0.525019
C 5.272192 -0.015860 0.067612
C 4.491477 0.898432 -0.685214
C 4.609744 -0.924057 0.939029
C 6.785650 -0.026992 -0.043585
H -3.003812 -0.537543 1.074540
H -2.113841 0.329597 -0.199089
H -3.151242 -2.589130 -0.353412
H -2.449479 -1.734055 -1.735393
H -4.117097 0.144616 -1.730773
H -0.959283 -2.232584 0.945310
H -0.837563 -3.287355 -0.486479
H -0.066592 -1.020491 -1.604488
H -4.880591 1.444510 0.833182
H 2.467861 1.626428 -1.145033
H 2.688662 -1.620593 1.732689
H -3.634713 2.626991 -1.627555
H -4.146659 3.513197 -0.170670
H -2.669981 2.491567 -0.123838
H 4.988215 1.612868 -1.351036
H 5.201214 -1.627965 1.535938
H 7.147642 -0.991399 -0.446852
H 7.151145 0.773702 -0.708070
H 7.260628 0.109220 0.945440
H -6.443139 -2.276535 -1.077804


