%chk=000203438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203438

0 1
S 0.326337 -0.613617 -0.298896
O 0.510689 -1.990835 0.117659
O 0.806766 -0.164527 -1.603568
N 1.081775 0.349288 0.921274
N 3.924219 0.260620 0.203303
N -5.377315 0.875130 0.153929
C 1.802847 1.566868 0.462455
C 3.323961 1.529011 0.729730
C -1.333575 -0.192804 -0.173236
C 5.302993 0.080011 0.751362
C 3.956120 0.246062 -1.287770
C -1.916803 0.657717 -1.123176
C -2.115530 -0.707492 0.870278
C -3.259893 1.001406 -1.042292
C -3.461747 -0.381900 0.978386
C -4.043985 0.485255 0.020238
H 1.618891 1.758736 -0.621593
H 1.366401 2.430431 1.018581
H 3.786966 2.446577 0.307564
H 3.501136 1.564122 1.827821
H 1.667131 -0.189135 1.584163
H 5.253718 0.021411 1.849696
H 6.020333 0.865007 0.473198
H 5.697485 -0.887144 0.397381
H 4.381423 -0.710828 -1.629624
H 4.519972 1.065436 -1.751244
H 2.915054 0.270091 -1.676043
H -1.306034 1.048388 -1.947603
H -1.665072 -1.383871 1.605972
H -3.700720 1.662971 -1.781294
H -4.057203 -0.782597 1.792777
H -5.981245 0.364808 0.776085
H -5.842594 1.318205 -0.620211


%chk=000203438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203438

0 1
S 0.247874 -0.754600 -0.703633
O 0.413207 -2.338308 -0.358095
O 0.614701 -0.163002 -2.192957
N 1.276481 0.107076 0.597385
N 4.033809 0.361888 0.331162
N -5.444174 0.950417 0.467830
C 1.787234 1.437699 0.156333
C 3.246298 1.572558 0.663796
C -1.491934 -0.209477 -0.326861
C 5.265433 0.235168 1.138433
C 4.287398 0.202343 -1.121043
C -2.103761 0.727801 -1.177593
C -2.156370 -0.783400 0.772907
C -3.428289 1.116294 -0.910137
C -3.479667 -0.392580 1.037126
C -4.134517 0.565901 0.202626
H 1.753027 1.534794 -0.949021
H 1.166963 2.239694 0.593817
H 3.685801 2.509269 0.240788
H 3.238647 1.674835 1.764803
H 2.115304 -0.522933 0.694840
H 5.013729 0.274460 2.213105
H 6.016502 1.035349 0.926095
H 5.740716 -0.740403 0.933734
H 4.837351 -0.739343 -1.291204
H 4.890177 1.042437 -1.544758
H 3.336579 0.137107 -1.678620
H -1.554158 1.121787 -2.038750
H -1.652458 -1.528472 1.396366
H -3.924654 1.842693 -1.564006
H -4.015865 -0.828274 1.888108
H -5.956800 0.552805 1.249634
H -5.922082 1.621219 -0.126907


