%chk=000253361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253361

0 1
S 0.057796 -0.610346 -0.637219
O 0.480948 -1.993035 -0.833832
O 0.089290 0.305984 -1.744404
O -1.213423 2.131710 0.714181
O -3.062842 2.535352 -0.338093
N -2.374337 -1.868203 0.009964
N -3.778763 -0.145932 0.472251
N -2.258413 1.793644 0.169105
C -1.624404 -0.711474 -0.119729
C 0.872289 0.024407 0.774216
C 2.338656 0.190439 0.512484
C -2.520976 0.339898 0.159274
C -3.676321 -1.497020 0.379037
C -1.945710 -3.253161 -0.194420
C 2.906246 1.472756 0.484425
C 3.148825 -0.939302 0.312938
C 4.278811 1.621044 0.263798
C 4.518695 -0.781540 0.093409
C 5.087098 0.496889 0.071446
H 0.429296 1.004476 1.102964
H 0.732750 -0.618609 1.671265
H -4.482343 -2.197610 0.558191
H -2.597566 -3.763696 -0.926732
H -0.897905 -3.317906 -0.598208
H -1.962098 -3.818214 0.754574
H 2.281312 2.354657 0.624261
H 2.708124 -1.938672 0.307304
H 4.716678 2.618367 0.238809
H 5.145004 -1.658599 -0.065491
H 6.155183 0.615696 -0.100568


%chk=000253361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253361

0 1
S 0.154496 -1.126124 -0.369489
O 0.296999 -2.763055 -0.327796
O 0.510613 -0.341242 -1.749389
O -0.596575 1.810203 0.474702
O -2.680363 2.741364 0.335730
N -2.683759 -1.789377 -0.128135
N -3.803808 0.165663 0.229316
N -1.892085 1.733237 0.341951
C -1.712153 -0.791844 -0.019389
C 1.266930 -0.440579 1.270146
C 2.555752 0.057985 0.766122
C -2.438078 0.399096 0.187537
C -3.921483 -1.160028 0.036196
C -2.517091 -3.234574 -0.403958
C 2.676737 1.402924 0.310789
C 3.688509 -0.804767 0.712576
C 3.916037 1.877252 -0.161996
C 4.924945 -0.324209 0.239614
C 5.040786 1.018229 -0.196436
H 0.580334 0.316429 1.667557
H 1.286010 -1.390978 1.822945
H -4.860374 -1.707969 0.008669
H -2.076179 -3.388129 -1.400408
H -1.842999 -3.691905 0.333550
H -3.514976 -3.699201 -0.357798
H 1.797837 2.055631 0.320982
H 3.591748 -1.845430 1.043974
H 4.006795 2.911084 -0.511292
H 5.794856 -0.988593 0.205548
H 6.002440 1.390908 -0.566618


