%chk=000281449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281449

0 1
S 2.430155 -0.088830 -1.138032
O 1.169592 0.388914 -1.701839
O 3.231088 -1.049256 -1.871651
O -2.211476 3.707399 -0.022026
O -0.524713 2.370757 0.109743
O -7.133333 0.072400 0.696772
O -6.709933 2.184485 0.492386
N -0.443315 -1.510780 0.090638
N -0.850894 -0.187320 0.046101
N -1.739009 2.588380 0.065124
N -6.369844 1.013252 0.545915
C 1.970285 -0.861869 0.405074
C 3.380150 1.251977 -0.658309
C 0.820680 -1.808370 0.236288
C 1.147006 -3.261698 0.263543
C 2.758365 2.469858 -0.345120
C 4.777364 1.156465 -0.620674
C 4.926039 3.472373 0.087123
C 3.523899 3.570427 0.033332
C 5.547952 2.253526 -0.242886
C 0.518010 -4.105132 1.191432
C 2.084527 -3.780026 -0.643599
C -2.196265 0.087928 0.164292
C 5.742773 4.648075 0.500797
C -2.643063 1.454714 0.151468
C 0.837730 -5.465572 1.217829
C 2.392974 -5.141618 -0.612286
C -3.177034 -0.944062 0.356378
C 1.773876 -5.984171 0.317885
C -4.021802 1.741029 0.262008
C -4.939612 0.714018 0.423909
C -4.506378 -0.645495 0.476867
H 1.725782 -0.108091 1.185380
H 2.838758 -1.402381 0.845844
H 1.662686 2.567892 -0.404697
H 5.270061 0.217652 -0.899213
H 3.031549 4.511752 0.278682
H 6.633233 2.170679 -0.213152
H -0.221761 -3.702287 1.882704
H 2.570231 -3.126485 -1.380256
H -0.207180 0.549481 -0.383083
H 5.795502 4.721316 1.599064
H 5.320747 5.598143 0.139795
H 6.777509 4.600883 0.133037
H 0.351452 -6.122332 1.937860
H 3.116308 -5.547156 -1.319577
H -2.834122 -1.985207 0.379479
H 2.018714 -7.045466 0.337777
H -4.360496 2.792823 0.226320
H -5.262267 -1.431091 0.610256


%chk=000281449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281449

0 1
S 2.493224 -0.155173 -1.193862
O 1.113273 0.310690 -1.943574
O 3.537110 -1.220873 -1.867832
O -2.132383 3.751833 0.267892
O -0.415919 2.260577 0.141474
O -7.249174 0.149598 0.672785
O -6.712809 2.367113 0.528045
N -0.535133 -1.637301 0.281880
N -0.890488 -0.307081 0.249714
N -1.698483 2.540753 0.232056
N -6.394102 1.115285 0.566217
C 1.854357 -0.947724 0.546025
C 3.483596 1.378534 -0.698675
C 0.761146 -1.949193 0.354169
C 1.104155 -3.394053 0.310384
C 2.793151 2.578872 -0.459678
C 4.881222 1.254700 -0.646863
C 4.983857 3.645603 -0.044504
C 3.566798 3.713504 -0.129136
C 5.626466 2.407746 -0.314848
C 0.150557 -4.372675 0.710410
C 2.383777 -3.819171 -0.144224
C -2.222223 0.049014 0.330447
C 5.792259 4.872144 0.334730
C -2.645098 1.430975 0.306573
C 0.474895 -5.741898 0.671207
C 2.699100 -5.193986 -0.189287
C -3.238959 -0.954718 0.443903
C 1.752663 -6.159196 0.223466
C -4.013153 1.774751 0.382957
C -4.966159 0.756447 0.485543
C -4.586779 -0.615506 0.516013
H 1.542354 -0.044447 1.096489
H 2.773357 -1.376169 0.966544
H 1.703515 2.644554 -0.546315
H 5.364311 0.302569 -0.889817
H 3.057951 4.665628 0.059254
H 6.719815 2.345898 -0.274052
H -0.833775 -4.042314 1.055161
H 3.111130 -3.088677 -0.520293
H -0.234579 0.458778 -0.005143
H 5.819720 4.999460 1.434212
H 5.353458 5.792451 -0.088461
H 6.835911 4.796252 -0.014829
H -0.262799 -6.485484 0.991994
H 3.680601 -5.510464 -0.558020
H -2.914535 -1.996518 0.454181
H 2.004236 -7.225055 0.194080
H -4.314018 2.825274 0.365418
H -5.364894 -1.379425 0.590891


