%chk=000206535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206535

0 1
S 5.413945 -0.642839 0.078856
O -1.127057 -0.653818 1.765803
O -0.285662 2.701600 -1.313830
O 6.238851 0.548799 0.059994
O 5.654365 -1.703961 1.036366
N -0.341328 0.908409 0.201874
N 5.614476 -1.367115 -1.470259
C -2.700381 0.922772 0.721303
C -2.388579 2.071564 -0.253139
C -1.351231 0.245531 1.004660
C -0.909184 1.996897 -0.566163
C -3.689717 -0.067361 0.158518
C 1.051442 0.535898 0.177734
C -4.920200 -0.258894 0.801737
C -3.388396 -0.791457 -1.005505
C 2.013320 1.440417 -0.312613
C 1.447707 -0.732057 0.646004
C 3.753274 -0.193349 0.119320
C 3.356013 1.067986 -0.337726
C 2.795668 -1.084653 0.615554
C -5.845418 -1.167990 0.279069
C -4.316514 -1.698862 -1.521197
C -5.546420 -1.887712 -0.881329
H -3.079104 1.334036 1.693419
H -2.642281 3.062893 0.173556
H -2.983582 2.005605 -1.189872
H -5.160835 0.291467 1.709995
H -2.431187 -0.654330 -1.506616
H 1.722788 2.428408 -0.683134
H 0.716229 -1.439901 1.048143
H 4.104071 1.779047 -0.710120
H 3.102921 -2.067761 0.993897
H -6.800887 -1.316665 0.781586
H -4.079686 -2.263026 -2.423076
H -6.267773 -2.596887 -1.285118
H 5.818476 -2.362983 -1.510284
H 6.190677 -0.882707 -2.154607


%chk=000206535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206535

0 1
S 5.422107 -0.801332 0.165528
O -1.190556 -0.271121 1.963705
O -0.283488 2.578449 -1.678070
O 6.347502 0.528481 0.335053
O 5.527269 -2.103142 1.138090
N -0.396782 1.014207 0.119211
N 5.691319 -1.427616 -1.545469
C -2.761407 1.122444 0.613977
C -2.405074 2.196523 -0.440851
C -1.398742 0.519104 1.020291
C -0.931904 1.993776 -0.782778
C -3.702916 0.015204 0.127535
C 0.978254 0.587808 0.130313
C -4.746376 -0.444501 0.966714
C -3.526247 -0.588274 -1.144536
C 2.005981 1.513759 -0.183405
C 1.291508 -0.755319 0.463625
C 3.625313 -0.243515 0.140557
C 3.351251 1.093459 -0.181955
C 2.635067 -1.179858 0.471914
C -5.607172 -1.480952 0.540787
C -4.384973 -1.624726 -1.570855
C -5.429620 -2.073780 -0.729807
H -3.195059 1.572867 1.523430
H -2.527168 3.221530 -0.046777
H -3.010349 2.130166 -1.358958
H -4.882365 0.005291 1.957266
H -2.719610 -0.255178 -1.809933
H 1.759471 2.545324 -0.439535
H 0.498634 -1.456701 0.729178
H 4.164735 1.792479 -0.398765
H 2.905319 -2.203646 0.747801
H -6.412828 -1.824392 1.198814
H -4.238523 -2.082851 -2.555256
H -6.096272 -2.877414 -1.061012
H 5.996886 -2.412739 -1.475737
H 6.385617 -0.816810 -2.007291


