%chk=000190738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190738

0 1
S -2.558394 1.880475 -0.476656
O -5.808252 -0.145082 -0.370252
O 1.739466 -1.448722 0.113312
N 0.210946 0.281658 -0.162432
N -4.287920 1.674041 -0.526132
N 2.533344 0.726604 -0.117186
C -2.216326 0.172977 -0.254029
C -3.430321 -0.547606 -0.218676
C -0.987294 -0.492051 -0.120060
C -3.446114 -1.931148 -0.050942
C -1.006373 -1.889577 0.049231
C -4.563108 0.391643 -0.381887
C -2.218912 -2.588017 0.081953
C 1.522157 -0.262262 -0.040209
C 3.941449 0.465057 -0.024520
C 4.798352 1.582152 -0.122289
C 4.466862 -0.824659 0.153872
C 6.177835 1.390807 -0.039576
C 5.850832 -0.989857 0.233641
C 6.709738 0.109419 0.138074
C -6.917269 0.793072 -0.532361
H -4.390120 -2.473352 -0.025651
H -0.063430 -2.442314 0.157175
H -2.199490 -3.671317 0.214668
H 0.094928 1.287840 -0.289922
H 2.275823 1.706205 -0.247003
H 4.401163 2.583822 -0.260327
H 3.805403 -1.693985 0.230244
H 6.844312 2.250054 -0.114471
H 6.261612 -1.990601 0.372197
H 7.786090 -0.030904 0.201530
H -6.913885 1.516546 0.289456
H -7.780583 0.120356 -0.488172
H -6.836220 1.299329 -1.499802


%chk=000190738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190738

0 1
S -2.428416 1.873183 -0.478482
O -5.839222 -0.056568 -0.378342
O 1.799381 -1.669089 0.134010
N 0.238114 0.078325 -0.144031
N -4.247448 1.694463 -0.530146
N 2.518345 0.565766 -0.103706
C -2.194432 0.074964 -0.246419
C -3.455746 -0.573069 -0.218527
C -0.980657 -0.647769 -0.106467
C -3.542043 -1.976091 -0.049543
C -1.075583 -2.053664 0.062909
C -4.537398 0.394492 -0.381617
C -2.341372 -2.695112 0.088801
C 1.544919 -0.440732 -0.024603
C 3.933880 0.419181 -0.020884
C 4.710490 1.605235 -0.129731
C 4.583065 -0.830895 0.161576
C 6.116313 1.545640 -0.057788
C 5.992264 -0.871628 0.231025
C 6.768928 0.304181 0.123182
C -6.886975 0.976734 -0.546354
H -4.519941 -2.464797 -0.030116
H -0.154432 -2.628010 0.172614
H -2.371283 -3.781644 0.220923
H 0.139137 1.088449 -0.269160
H 2.201427 1.529166 -0.234141
H 4.213750 2.574683 -0.270685
H 3.985052 -1.739398 0.245649
H 6.699863 2.468811 -0.143242
H 6.485809 -1.839788 0.371840
H 7.861326 0.256106 0.178914
H -6.829135 1.714506 0.272069
H -7.833098 0.418753 -0.515454
H -6.758581 1.496219 -1.511278


