%chk=000262397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262397

0 1
S 3.717427 -0.054990 1.870387
O -1.398575 -2.574410 0.511401
O -3.282319 1.619009 0.031579
N -1.019260 1.469637 -0.353720
N 1.299315 -1.258130 -0.244486
N -2.340657 -0.482636 0.284147
N 1.420627 0.986527 -0.700133
C 0.001218 -0.736458 -0.102570
C 0.105110 0.651487 -0.391815
C 2.123912 -0.193431 -0.592885
C -1.229967 -1.399645 0.256898
C 3.582974 -0.312194 -0.867172
C -2.292002 0.913731 -0.004031
C -0.905090 2.916907 -0.655334
C 4.374559 -0.789459 0.340561
C -3.677242 -1.016603 0.667987
H 1.546547 -2.211363 -0.041690
H 3.753439 -0.987764 -1.737220
H 3.961144 0.683881 -1.211389
H -1.907411 3.387474 -0.646490
H -0.448266 3.063757 -1.650374
H -0.269943 3.416294 0.097492
H 4.318233 -1.888519 0.468863
H 5.449069 -0.543460 0.231359
H -3.691183 -2.116093 0.545894
H -4.466664 -0.573008 0.035255
H -3.898926 -0.776057 1.721656
H 3.518935 1.213516 1.444529


%chk=000262397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262397

0 1
S 4.100729 0.144379 1.964971
O -1.414248 -2.657376 0.469707
O -3.378602 1.619160 0.053142
N -1.069953 1.452882 -0.337601
N 1.246955 -1.233561 -0.262998
N -2.382244 -0.493935 0.255192
N 1.346971 0.996594 -0.687209
C -0.055022 -0.746200 -0.115821
C 0.040938 0.625541 -0.385481
C 2.061474 -0.161072 -0.599818
C -1.278983 -1.418861 0.223727
C 3.539139 -0.266783 -0.838717
C -2.335811 0.907708 -0.007153
C -0.945251 2.896274 -0.616657
C 4.351470 -0.821041 0.354528
C -3.720036 -1.029491 0.597443
H 1.517895 -2.205550 -0.116363
H 3.738896 -0.911287 -1.720390
H 3.889997 0.746990 -1.096549
H -1.948211 3.338938 -0.531882
H -0.543628 3.051659 -1.631919
H -0.260155 3.364679 0.109844
H 4.053679 -1.851120 0.615929
H 5.425897 -0.829470 0.108417
H -3.606588 -2.110750 0.763926
H -4.426875 -0.835859 -0.225722
H -4.103957 -0.536467 1.505404
H 4.500528 1.372018 1.460748


