%chk=000270416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270416

0 1
S -2.019695 2.071615 0.780040
S 2.044026 2.094101 -0.644393
O -2.500102 -0.022728 -1.623227
O 2.495546 -0.167527 1.608150
O -6.308185 0.076135 0.982928
O 6.305789 0.060541 -0.986712
N -4.475191 -0.299075 -0.407670
N 4.467378 -0.385415 0.375555
C -3.435644 1.842038 -0.327048
C 3.456360 1.769747 0.443444
C -4.714525 1.887927 0.510328
C 4.736066 1.856361 -0.389437
C -3.345318 0.421511 -0.886976
C 3.346926 0.315267 0.903969
C -5.309767 0.486039 0.451100
C 5.312661 0.445971 -0.427396
C -0.600801 2.059705 -0.373750
C 0.624609 2.021131 0.506476
C -4.672970 -1.756216 -0.634028
C 4.645766 -1.857192 0.500733
C -3.942456 -2.585804 0.415162
C 3.905904 -2.602606 -0.603632
H -3.434799 2.593956 -1.146696
H 3.465195 2.463202 1.313070
H -4.549428 2.183699 1.569760
H -5.441213 2.631337 0.124077
H 5.472383 2.561668 0.046802
H 4.575301 2.226679 -1.425854
H -0.668160 1.168950 -1.044060
H -0.636723 2.958127 -1.020193
H 0.672070 2.872142 1.213495
H 0.679881 1.085345 1.113552
H -5.768885 -1.961380 -0.606093
H -4.300515 -1.998714 -1.656783
H 5.738938 -2.074322 0.459185
H 4.268771 -2.164873 1.504111
H -4.084040 -3.658247 0.234451
H -4.305322 -2.374167 1.429434
H -2.861095 -2.392974 0.407909
H 4.033123 -3.686748 -0.497374
H 4.272978 -2.326231 -1.600672
H 2.827162 -2.396476 -0.583639


%chk=000270416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270416

0 1
S -2.103114 2.060446 0.878776
S 2.107155 2.051872 -0.754935
O -2.706510 -0.119282 -1.672941
O 2.696306 -0.297469 1.645064
O -6.534266 0.163852 1.015714
O 6.534522 0.154860 -1.005222
N -4.659946 -0.284158 -0.352618
N 4.655177 -0.378225 0.324979
C -3.553791 1.825573 -0.338410
C 3.553326 1.730307 0.446981
C -4.893496 1.958816 0.417677
C 4.895780 1.910160 -0.294642
C -3.544818 0.394028 -0.889572
C 3.538708 0.265006 0.901101
C -5.491088 0.546684 0.437743
C 5.490485 0.501096 -0.406032
C -0.645814 2.032011 -0.349551
C 0.647290 1.944246 0.465650
C -4.915914 -1.721392 -0.573661
C 4.908866 -1.827182 0.451811
C -4.195522 -2.600079 0.468927
C 4.195315 -2.634468 -0.651500
H -3.420284 2.556191 -1.151680
H 3.419201 2.404929 1.307313
H -4.785878 2.328632 1.451176
H -5.593875 2.638841 -0.098316
H 5.595998 2.552996 0.267244
H 4.792266 2.347703 -1.301720
H -0.779864 1.154601 -1.002016
H -0.692394 2.958948 -0.947363
H 0.743707 2.784647 1.175378
H 0.730642 0.987245 1.004127
H -6.008526 -1.867518 -0.519311
H -4.564702 -1.961228 -1.592316
H 6.001768 -1.970314 0.395077
H 4.550828 -2.133869 1.449965
H -4.405389 -3.665398 0.266125
H -4.545733 -2.367908 1.489160
H -3.103426 -2.449476 0.423619
H 4.403605 -3.711020 -0.518269
H 4.552434 -2.335619 -1.651803
H 3.102970 -2.486587 -0.603631


