%chk=000268522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268522

0 1
S -1.189855 -2.891777 -0.412211
O -1.967610 -3.658623 0.528102
O -1.101801 -3.262722 -1.800461
O 0.922569 -0.841626 1.867732
O -3.135620 3.409527 -1.276341
O -3.083799 3.364401 0.886940
N 0.426188 -2.976185 0.274761
N 1.239802 -1.897723 -0.130818
N -2.945050 2.851474 -0.209285
C -1.676198 -1.215732 -0.334265
C -1.978717 -0.547531 -1.524999
C -1.787524 -0.566818 0.896196
C -2.503832 1.427025 -0.251440
C -2.396530 0.785131 -1.492595
C -2.205299 0.769132 0.946306
C 2.600975 0.086342 0.408023
C 1.553839 -0.884414 0.825226
C 3.490298 0.553536 1.388333
C 2.689328 0.557102 -0.910143
C 4.481235 1.475122 1.041460
C 3.679517 1.482781 -1.247816
C 4.576829 1.938243 -0.275028
H -1.889945 -1.067210 -2.489360
H -1.535937 -1.080757 1.833343
H 0.479571 -3.168229 1.299534
H -2.638378 1.325321 -2.414529
H -2.294215 1.294126 1.904714
H 1.972666 -2.217818 -0.785122
H 3.398001 0.201018 2.418466
H 1.983703 0.215897 -1.668713
H 5.175549 1.837230 1.799868
H 3.750700 1.853322 -2.270440
H 5.349541 2.659837 -0.543439


%chk=000268522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268522

0 1
S -0.629770 -1.977664 -0.207690
O -1.412522 -3.307778 -0.758425
O 0.541813 -1.265553 -1.154078
O 1.526815 0.412234 1.584850
O -4.669774 3.458492 0.782236
O -6.241827 1.898221 0.237002
N 0.897401 -2.289045 1.611647
N 1.974634 -1.778569 0.983854
N -5.022854 2.264036 0.446850
C -1.977999 -0.647526 0.008022
C -1.596570 0.655562 0.371627
C -3.308338 -1.044639 -0.211504
C -3.952755 1.239972 0.292192
C -2.611507 1.624419 0.515493
C -4.321512 -0.074126 -0.070263
C 3.375367 0.031924 0.018390
C 2.239711 -0.363383 0.883067
C 4.143113 1.168655 0.387457
C 3.675068 -0.672846 -1.180169
C 5.229106 1.572111 -0.414229
C 4.760246 -0.258369 -1.979391
C 5.543626 0.855213 -1.594283
H -0.545490 0.916835 0.538635
H -3.530068 -2.078266 -0.496831
H 0.498438 -1.492796 2.179210
H -2.382726 2.655819 0.794773
H -5.375015 -0.314813 -0.233232
H 2.520907 -2.441306 0.426290
H 3.880147 1.714743 1.299403
H 3.016670 -1.479031 -1.523765
H 5.828210 2.441742 -0.124909
H 4.981425 -0.787705 -2.911888
H 6.386031 1.172837 -2.218344


