%chk=000265186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265186

0 1
S -2.221667 -1.725791 -1.041653
S 0.564953 -2.521847 -0.269609
O -3.203036 -2.775483 -1.224964
O -1.563120 -1.184711 -2.238901
N -0.980638 -2.258682 -0.051096
N 2.684457 -1.000484 -0.675822
C -2.930328 -0.417449 -0.155222
C 1.440329 -0.944360 -0.223706
C 2.968797 1.337946 0.026103
C 3.473742 0.140557 -0.559290
C 0.853857 0.204329 0.384631
C 1.620006 1.338572 0.501625
C -2.793163 0.891885 -0.625431
C -3.644524 -0.666814 1.019973
C -4.076393 1.708985 1.263717
C -3.360504 1.954406 0.079223
C -4.214320 0.390740 1.731378
C 3.825868 2.478481 0.113100
C 4.822130 0.096927 -1.045740
C 0.854109 -2.972410 -1.980804
C 5.112277 2.413425 -0.360178
C 5.614328 1.211125 -0.944683
C -4.701224 2.835192 2.018641
H -0.177712 0.170735 0.741635
H 1.218173 2.246089 0.952935
H -2.241894 1.083428 -1.554762
H -3.762108 -1.692148 1.385855
H -3.255548 2.969923 -0.295268
H -4.771012 0.191728 2.644450
H 3.436556 3.392790 0.559372
H 5.183002 -0.832150 -1.489032
H 0.489795 -3.986422 -2.182135
H 1.923593 -2.934524 -2.230096
H 0.334926 -2.303921 -2.699302
H 5.773614 3.277324 -0.299389
H 6.641613 1.199042 -1.309556
H -4.528423 2.750735 3.100900
H -4.325664 3.818997 1.707939
H -5.792248 2.846034 1.867763


%chk=000265186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265186

0 1
S -1.364351 0.771879 -0.071440
S 0.709683 -1.421779 0.682253
O -1.311356 0.149328 -1.595156
O -0.787029 2.289823 0.169119
N -0.664903 -0.435261 1.228279
N 3.136816 -1.027908 -0.544167
C -3.155251 0.793173 0.507615
C 2.172053 -0.335768 0.041605
C 4.366495 1.100487 -0.790201
C 4.261464 -0.333763 -0.977239
C 2.155444 1.066329 0.286283
C 3.277186 1.778172 -0.148675
C -3.547929 1.794452 1.407519
C -4.036609 -0.175692 0.001022
C -5.828895 0.855089 1.346829
C -4.898612 1.814140 1.824151
C -5.380221 -0.133378 0.428800
C 5.542195 1.773439 -1.254547
C 5.322993 -1.047864 -1.612860
C 0.345218 -2.380100 -0.949551
C 6.568170 1.055529 -1.873889
C 6.457983 -0.361219 -2.053066
C -7.282087 0.893782 1.784624
H 1.294346 1.560539 0.746128
H 3.320421 2.864130 -0.010462
H -2.823032 2.539490 1.750217
H -3.686475 -0.921243 -0.719948
H -5.231447 2.585183 2.528299
H -6.089820 -0.876504 0.046125
H 5.624772 2.858133 -1.118639
H 5.216120 -2.129426 -1.738734
H -0.273847 -3.237292 -0.650100
H 1.333294 -2.686607 -1.322653
H -0.181939 -1.683630 -1.617767
H 7.465228 1.574522 -2.227967
H 7.272553 -0.907324 -2.540835
H -7.639312 -0.107722 2.085707
H -7.431684 1.579121 2.636087
H -7.935041 1.237937 0.959838


