%chk=000292581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292581

0 1
S -3.189890 -0.210892 0.314214
S 4.681001 -0.565732 -0.045577
O -3.283401 -1.506547 0.958901
O -3.962078 0.912229 0.814506
N 2.510235 1.112771 -0.148382
N 1.981620 -1.101396 0.176052
N -3.703940 -0.380663 -1.324139
C 1.111005 1.053075 -0.070429
C 0.792252 -0.341196 0.137603
C -1.525980 0.231543 0.176766
C -0.546546 -0.745718 0.266973
C 0.102029 2.031654 -0.149578
C -1.206579 1.599311 -0.023242
C 2.976447 -0.219551 0.004453
C 3.336041 2.304463 -0.359759
C -3.660583 -1.752350 -1.882248
C 4.739183 -2.319483 0.359504
H -0.784434 -1.801055 0.444278
H 0.344083 3.078690 -0.300232
H -2.022935 2.330635 -0.067094
H 2.720071 3.220547 -0.336434
H 4.106254 2.393182 0.431220
H 3.848660 2.259817 -1.340050
H -4.572031 0.106907 -1.580238
H -2.612015 -2.092586 -1.953089
H -4.071821 -1.759184 -2.905071
H -4.216845 -2.493977 -1.279792
H 4.129815 -2.919504 -0.333367
H 4.364460 -2.517136 1.373979
H 5.783022 -2.651653 0.293070


%chk=000292581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292581

0 1
S -3.241241 -0.284557 0.386655
S 4.799495 -0.542895 0.032945
O -3.248228 -1.783537 1.038465
O -4.087528 0.944264 1.041532
N 2.551208 1.114470 -0.177919
N 2.062208 -1.088857 0.269588
N -3.844628 -0.329732 -1.393987
C 1.151565 1.033642 -0.105760
C 0.863996 -0.348176 0.179113
C -1.447749 0.223249 0.171740
C -0.472913 -0.773033 0.328065
C 0.147004 2.013361 -0.245750
C -1.189452 1.586873 -0.101162
C 3.032700 -0.188503 0.050689
C 3.330658 2.325646 -0.449564
C -3.655175 -1.658352 -2.033161
C 4.709998 -2.365914 0.500468
H -0.740202 -1.805078 0.572943
H 0.375940 3.062045 -0.457944
H -2.021036 2.293048 -0.181236
H 2.991764 3.148838 0.203165
H 4.394853 2.134964 -0.238385
H 3.229813 2.635241 -1.505295
H -4.844327 -0.058717 -1.305685
H -2.576749 -1.849819 -2.162904
H -4.111852 -1.599601 -3.037673
H -4.104716 -2.503648 -1.475769
H 4.114405 -2.900473 -0.251259
H 4.243718 -2.463622 1.489888
H 5.753570 -2.714927 0.510995


