%chk=000199133.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199133

0 1
S -4.337729 -0.928743 -0.406450
O -0.171542 -1.978207 -0.772107
O 4.168583 -0.991799 0.460444
N -0.778884 1.047736 -0.402564
N 2.684933 0.768666 0.466004
N 1.998003 -1.484095 -0.178372
N 0.850769 2.474292 0.339627
N -5.889295 1.362561 0.267540
C 0.390434 0.282364 -0.236637
C 1.384656 1.196256 0.215007
C -2.076128 0.532052 -0.884415
C 0.633994 -1.127032 -0.438951
C 3.035193 -0.601785 0.261193
C -0.461586 2.351554 -0.036729
C -2.675611 -0.450217 0.118500
C 3.711144 1.731196 0.935993
C 2.407042 -2.904169 -0.367634
C -5.234121 0.447864 0.008719
H -2.757054 1.395836 -1.073279
H -1.910796 0.021472 -1.870227
H -1.163488 3.178219 -0.053010
H -2.072467 -1.398705 0.143978
H -2.663975 -0.057623 1.153864
H 4.680374 1.215863 1.079520
H 3.399382 2.183458 1.894699
H 3.842174 2.541590 0.196310
H 1.541980 -3.505848 -0.704855
H 2.787730 -3.323986 0.579804
H 3.208781 -2.974668 -1.123474


%chk=000199133-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199133

0 1
S -4.475970 -0.981248 -0.308403
O -0.167593 -2.043681 -0.819202
O 4.256311 -0.986862 0.427343
N -0.774737 0.987695 -0.346188
N 2.689855 0.760920 0.453022
N 2.051845 -1.479832 -0.201430
N 0.856845 2.423975 0.374492
N -5.848429 1.614176 -0.087396
C 0.405832 0.232494 -0.216767
C 1.380097 1.145408 0.221542
C -2.092688 0.499908 -0.799018
C 0.675626 -1.162958 -0.449159
C 3.074886 -0.585098 0.240031
C -0.447156 2.285406 0.023295
C -2.717681 -0.459560 0.231306
C 3.690715 1.745190 0.913295
C 2.488476 -2.880911 -0.410331
C -5.269329 0.566927 -0.167932
H -2.737259 1.383372 -0.951614
H -1.974783 -0.023006 -1.762973
H -1.173394 3.095212 0.016807
H -2.161321 -1.410986 0.264065
H -2.795650 -0.011162 1.233264
H 4.648156 1.217058 1.027337
H 3.376737 2.179900 1.876647
H 3.788535 2.557644 0.174316
H 1.612523 -3.451682 -0.750584
H 2.880826 -3.298412 0.531139
H 3.291222 -2.915786 -1.164405


