%chk=000208215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208215

0 1
S -5.641397 -1.315648 -0.072401
S -6.426264 0.482795 -0.689274
O 2.322523 -2.322589 0.454413
O 1.996938 2.289621 0.700746
O -5.195308 0.898511 -1.752654
O -7.575030 0.258823 -1.500491
O -6.378745 1.421208 0.377875
N 1.851916 -0.046440 0.744494
N -1.899130 -0.137528 0.990866
C 0.513322 -0.169171 1.362048
C -0.586868 -0.128210 0.278789
C 3.895753 -0.564177 -0.252343
C 3.796521 0.853759 -0.176151
C 2.649847 -1.173042 0.327792
C 2.482395 1.216920 0.455727
C -3.034244 -0.484121 0.079694
C 5.007270 -1.174479 -0.790768
C 4.808434 1.666553 -0.638010
C -4.237245 -0.799569 0.966503
C 6.048711 -0.341894 -1.267361
C 5.951847 1.042389 -1.192906
H 0.458570 -1.130347 1.926598
H 0.380784 0.659096 2.095623
H -0.449735 0.754430 -0.382465
H -0.503720 -1.030303 -0.367722
H -2.066149 0.784487 1.413473
H -2.755061 -1.378829 -0.524038
H -3.273631 0.325449 -0.650948
H 5.087958 -2.260761 -0.850006
H 4.736978 2.753539 -0.580345
H -4.517090 0.054093 1.618789
H -4.013684 -1.647854 1.651813
H 6.938259 -0.804839 -1.698008
H 6.765253 1.667668 -1.564984
H -5.454678 1.255060 -2.618468


%chk=000208215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208215

0 1
S -5.576350 -1.661815 -0.150353
S -6.824709 0.450795 -0.385738
O 2.237874 -2.242637 0.317202
O 2.265429 2.443234 0.785441
O -6.391777 0.746183 -2.170652
O -8.433063 0.339639 -0.281708
O -6.052637 1.564890 0.509095
N 1.930157 0.089397 0.675287
N -1.841658 -0.070811 0.648898
C 0.561740 0.045545 1.201943
C -0.488474 -0.097459 0.073004
C 3.996635 -0.547343 -0.191544
C 4.004488 0.862715 -0.052347
C 2.667622 -1.063156 0.270396
C 2.681278 1.292311 0.503841
C -2.948310 -0.601777 -0.161124
C 5.109745 -1.239594 -0.690562
C 5.125557 1.627128 -0.407516
C -4.144019 -0.883957 0.767929
C 6.249515 -0.475117 -1.053651
C 6.257368 0.935989 -0.914293
H 0.467407 -0.807687 1.894742
H 0.399551 0.985484 1.760485
H -0.319324 0.701575 -0.686278
H -0.344502 -1.070077 -0.431272
H -2.070711 0.814355 1.119119
H -2.608638 -1.544009 -0.630107
H -3.277571 0.073064 -0.984198
H 5.092886 -2.329127 -0.792666
H 5.120673 2.715693 -0.294534
H -4.525320 0.058349 1.215125
H -3.875151 -1.568584 1.593389
H 7.137676 -0.980621 -1.447395
H 7.151479 1.498901 -1.202592
H -7.049570 1.413125 -2.531467


