%chk=000198117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198117

0 1
S -3.022989 0.789930 -1.759591
P -3.455763 0.332720 0.032932
O 2.249593 -1.441624 0.271405
O -3.116224 -1.319247 0.445845
O -3.081152 1.227152 1.337875
O -5.051007 0.175503 0.382028
N 0.198774 -0.251125 0.226952
N -1.108611 -0.291688 0.273789
C 5.294832 0.669183 -0.181029
C 6.775314 0.268018 -0.220184
C 4.395836 -0.554059 0.031418
C 7.680979 1.489108 -0.433958
C 2.928861 -0.143034 0.068800
C 9.155829 1.096117 -0.473474
C 0.894592 -1.428790 0.322103
C 0.263220 -2.701739 0.485774
C -1.768599 -1.482846 0.423750
C -1.115537 -2.734493 0.539731
C -2.278145 2.436354 1.129016
C -5.855724 -0.610156 -0.559052
C -3.161904 3.575051 0.662325
C -7.238941 -0.558012 0.061759
H 5.020099 1.182439 -1.123839
H 5.127421 1.408234 0.627114
H 7.054280 -0.245185 0.720413
H 6.946612 -0.470938 -1.026846
H 4.663814 -1.077780 0.971663
H 4.555772 -1.300748 -0.773322
H 7.513395 2.229197 0.373056
H 7.406122 2.002201 -1.376537
H 2.671667 0.513363 0.916353
H 2.564328 0.292578 -0.876873
H 9.365299 0.392003 -1.286904
H 9.473074 0.620031 0.461350
H 9.794960 1.973031 -0.627411
H 0.877743 -3.598853 0.561069
H -1.689072 -3.652004 0.662487
H -1.420692 2.240862 0.454915
H -1.905860 2.586653 2.164185
H -5.456791 -1.641222 -0.603488
H -5.828242 -0.130983 -1.557424
H -2.713843 4.546801 0.903268
H -3.333282 3.563187 -0.424062
H -4.148407 3.540966 1.147662
H -7.967080 -1.122456 -0.530214
H -7.228991 -0.968382 1.081668
H -7.593961 0.478483 0.149003


%chk=000198117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198117

0 1
S -3.620575 1.012780 -2.011628
P -3.830744 0.460155 -0.036603
O 2.341485 -1.564759 0.072769
O -3.096107 -1.144860 0.379132
O -3.455202 1.530037 1.241000
O -5.395333 0.050151 0.532589
N 0.386786 -0.235582 0.101590
N -0.984089 -0.155425 0.177762
C 5.489478 0.591755 -0.141299
C 6.995129 0.248536 -0.200777
C 4.588327 -0.664442 -0.084067
C 7.900323 1.501063 -0.237568
C 3.108905 -0.286326 -0.031128
C 9.403990 1.155248 -0.294498
C 0.967836 -1.468218 0.142034
C 0.230209 -2.686098 0.256945
C -1.722547 -1.287608 0.287949
C -1.158760 -2.595137 0.330953
C -2.430585 2.609738 1.027584
C -6.221518 -0.887883 -0.287629
C -3.104725 3.901235 0.567078
C -7.617019 -0.857204 0.326853
H 5.219811 1.204159 -1.026843
H 5.295715 1.227063 0.748025
H 7.265965 -0.372668 0.678339
H 7.196267 -0.374997 -1.096616
H 4.841323 -1.268254 0.808741
H 4.773045 -1.302670 -0.969376
H 7.695806 2.123575 0.657328
H 7.628799 2.121154 -1.116267
H 2.866435 0.340952 0.847076
H 2.775513 0.252186 -0.937548
H 9.638800 0.554898 -1.193745
H 9.709579 0.565788 0.590543
H 10.028509 2.066904 -0.324866
H 0.758894 -3.641719 0.281901
H -1.803891 -3.471815 0.418439
H -1.665487 2.240996 0.322310
H -1.977879 2.708914 2.028094
H -5.766138 -1.894010 -0.232460
H -6.220991 -0.541400 -1.339348
H -2.352791 4.712260 0.526286
H -3.541191 3.783258 -0.439404
H -3.900557 4.201802 1.270090
H -8.282591 -1.546990 -0.224503
H -7.583910 -1.171689 1.383511
H -8.042697 0.158947 0.276753


