%chk=000191618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191618

0 1
S -4.028507 -0.372210 -1.377792
O 0.719290 1.010634 0.473781
O 2.740974 2.938078 0.232835
N 3.784426 -0.451862 -0.769727
N -4.504465 -0.730440 1.166764
C 3.519838 0.638966 0.208198
C 2.727416 1.735692 -0.540110
C 3.584192 -1.830248 -0.202082
C 1.281851 1.310538 -0.844563
C 4.380674 -2.835543 -1.044908
C 2.085277 -2.156223 -0.225411
C -0.583260 0.589393 0.542542
C -1.430228 0.402724 -0.556492
C -2.718011 -0.036545 -0.271423
C -0.996024 0.348770 1.882437
C -3.160792 -0.286037 1.054701
C -2.283545 -0.088222 2.140775
C -5.085930 -0.826055 0.010713
H 3.241073 2.041154 -1.483342
H 2.921489 0.281294 1.075617
H 4.443945 1.087853 0.629566
H 3.946937 -1.889009 0.859274
H 4.728126 -0.351890 -1.154755
H 1.255429 0.394613 -1.463685
H 0.696340 2.128472 -1.295245
H 4.175356 -3.863211 -0.724057
H 4.111289 -2.771343 -2.107182
H 5.460765 -2.678186 -0.965812
H 1.503174 -1.410912 0.333319
H 1.883857 -3.137599 0.213766
H 1.695325 -2.161188 -1.250257
H 2.181817 2.839261 1.035727
H -1.111418 0.586787 -1.576655
H -0.281805 0.516984 2.686744
H -2.629571 -0.280439 3.157869
H -6.105204 -1.141150 -0.174432


%chk=000191618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191618

0 1
S -4.107981 -0.335532 -1.580868
O 0.601919 1.079845 0.582938
O 2.704904 2.891597 0.426324
N 3.677972 -0.538717 -0.828017
N -4.780793 -0.495610 1.025435
C 3.508736 0.549511 0.160205
C 2.676532 1.707991 -0.443844
C 3.921719 -1.907245 -0.286021
C 1.233658 1.284140 -0.741924
C 4.502097 -2.785946 -1.412771
C 2.610785 -2.512354 0.263069
C -0.741986 0.688865 0.629033
C -1.526765 0.441547 -0.522790
C -2.865305 0.050112 -0.321488
C -1.283140 0.548060 1.940986
C -3.427543 -0.096660 0.988082
C -2.616474 0.158311 2.122624
C -5.273069 -0.659375 -0.178607
H 3.144139 2.041288 -1.388793
H 2.972270 0.151702 1.040181
H 4.468605 0.978584 0.525570
H 4.667215 -1.876984 0.547516
H 4.386584 -0.293563 -1.533420
H 1.236116 0.338323 -1.316189
H 0.689935 2.082726 -1.282544
H 4.662447 -3.819368 -1.058681
H 3.803104 -2.815931 -2.269197
H 5.474671 -2.395513 -1.770265
H 2.152878 -1.868268 1.035295
H 2.800835 -3.502027 0.718235
H 1.879354 -2.631744 -0.556745
H 2.081544 2.714722 1.178835
H -1.112899 0.546157 -1.527912
H -0.631455 0.752191 2.795413
H -3.045804 0.046392 3.122227
H -6.294706 -0.964330 -0.405193


