%chk=000259009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259009

0 1
S -0.719133 0.995919 0.239967
O 5.237169 -0.985958 -0.174694
N -1.312035 -1.458258 -0.291852
N 1.865770 0.234982 0.075468
N 0.026581 -1.423759 -0.279834
C -3.332505 -0.027544 0.020329
C -1.902900 -0.284180 -0.045256
C -4.199419 -1.051855 0.445530
C -3.855511 1.227828 -0.337935
C -5.573173 -0.813983 0.521737
C -5.231224 1.454398 -0.257952
C -6.090371 0.437820 0.173275
C 4.214207 -0.026109 0.024514
C 0.549974 -0.213762 -0.020097
C 4.771746 1.206596 0.282767
C 2.877259 -0.575496 -0.091883
C 6.198610 1.034526 0.248624
C 6.432484 -0.290284 -0.027862
H -3.792770 -2.031438 0.708310
H -3.200036 2.024363 -0.689276
H -6.242292 -1.608228 0.851670
H -5.636150 2.426925 -0.535648
H -7.162519 0.620643 0.234480
H 4.245443 2.126197 0.474253
H 2.826203 -1.659470 -0.317743
H 6.921943 1.811337 0.411846
H 7.296151 -0.907312 -0.155738


%chk=000259009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259009

0 1
S -0.732099 1.290503 -0.054534
O 5.231500 -1.088889 0.146581
N -1.287679 -1.311956 0.180247
N 1.901585 0.403743 0.018956
N 0.095223 -1.247772 0.170722
C -3.353603 0.047510 0.064967
C -1.897457 -0.114593 0.075071
C -4.179299 -1.110325 0.163012
C -3.965861 1.326633 -0.040058
C -5.581202 -0.983403 0.155099
C -5.370439 1.446822 -0.047600
C -6.184131 0.293657 0.049777
C 4.248565 -0.065710 0.057873
C 0.584281 0.004566 0.056404
C 4.891521 1.173531 -0.051797
C 2.877691 -0.490304 0.097139
C 6.305392 0.924460 -0.030805
C 6.472441 -0.452680 0.091704
H -3.698728 -2.090011 0.243794
H -3.344695 2.227205 -0.115220
H -6.206928 -1.879299 0.230667
H -5.829950 2.437646 -0.129218
H -7.275468 0.388762 0.043777
H 4.380560 2.129778 -0.135635
H 2.689579 -1.574061 0.192920
H 7.102357 1.662057 -0.096274
H 7.340345 -1.103972 0.149430


