%chk=000238657.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238657

0 1
S -0.237368 0.955269 -0.619251
O 0.278708 0.378960 -1.862310
O 0.247850 2.252500 -0.209882
O -2.149631 -1.936011 2.077363
O -0.192874 -1.735510 3.151383
O 3.650779 -2.666113 -0.592797
O 3.290611 0.650606 0.685051
O 5.245026 1.582498 0.035103
N 0.213836 -0.121406 0.649019
N 2.928977 -0.738028 -1.579091
C -0.298498 -1.499847 0.663635
C 0.734027 -2.598199 0.344890
C 1.289181 -2.509809 -1.078452
C -1.946935 0.888437 -0.640828
C -0.788575 -1.721317 2.106644
C 2.724058 -2.008464 -1.038282
C -2.613189 0.376660 -1.763611
C -2.688921 1.373421 0.444500
C -4.751997 0.816950 -0.706309
C -4.004521 0.337738 -1.798660
C -4.081951 1.337532 0.415420
C 4.226594 -0.080041 -1.411722
C -6.241339 0.791009 -0.744895
C 4.336848 0.817039 -0.187082
C 3.301253 1.464271 1.911692
C 2.818513 2.860450 1.598930
H -1.182438 -1.605911 -0.027906
H 1.567559 -2.572795 1.086436
H 0.262980 -3.592684 0.494974
H 0.647574 -1.882400 -1.736201
H 1.295574 -3.516363 -1.549712
H 1.180707 -0.044114 1.022415
H -2.035319 0.008155 -2.620956
H -2.177824 1.785684 1.321345
H 2.146012 -0.157160 -1.921046
H -4.514934 -0.060462 -2.674524
H -4.651860 1.716146 1.262851
H 4.462707 0.533073 -2.315895
H 5.039847 -0.856657 -1.327121
H -2.540329 -2.086666 2.978600
H -6.637690 1.747773 -1.123331
H -6.637017 0.001791 -1.400058
H -6.686628 0.633439 0.248208
H 4.323302 1.445020 2.330826
H 2.606896 0.885960 2.547958
H 2.600751 3.428150 2.509616
H 3.564439 3.425975 1.022471
H 1.894327 2.849254 0.989393


%chk=000238657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238657

0 1
S -0.127561 0.772940 -1.022702
O 0.191001 -0.002306 -2.448225
O 0.533194 2.239673 -0.809078
O -1.724781 -2.779126 1.995625
O -0.910243 -0.785443 2.868021
O 3.798383 -2.311105 -0.053571
O 3.074033 0.709799 0.717559
O 5.242455 1.401796 0.226109
N 0.357405 -0.203282 0.408258
N 2.896374 -0.810399 -1.578143
C -0.225434 -1.540182 0.577078
C 0.779737 -2.732251 0.458495
C 1.541991 -2.766822 -0.895418
C -1.997445 0.796253 -0.838649
C -0.957034 -1.604954 1.931984
C 2.842916 -1.961066 -0.816576
C -2.771598 0.418220 -1.946340
C -2.540928 1.261827 0.371431
C -4.781482 0.972020 -0.625615
C -4.176040 0.508099 -1.823408
C -3.946871 1.338155 0.465850
C 4.042112 0.081638 -1.456011
C -6.289169 1.099915 -0.517646
C 4.207733 0.784544 -0.099110
C 3.129405 1.491048 2.005707
C 2.793825 2.961938 1.751580
H -1.002614 -1.696353 -0.198739
H 1.515159 -2.698417 1.284346
H 0.191352 -3.657539 0.584985
H 0.894465 -2.419492 -1.721325
H 1.829837 -3.813378 -1.100785
H 1.370362 -0.038143 0.593469
H -2.287058 0.067365 -2.863177
H -1.895235 1.533849 1.212325
H 2.069755 -0.519970 -2.126189
H -4.807481 0.216497 -2.670123
H -4.400615 1.687657 1.400192
H 3.969853 0.872512 -2.223303
H 4.986365 -0.466755 -1.620261
H -2.179449 -2.830904 2.879613
H -6.609980 2.134805 -0.745316
H -6.807140 0.431142 -1.225823
H -6.644584 0.865716 0.500966
H 4.136554 1.359051 2.435765
H 2.375044 0.993117 2.636505
H 2.697491 3.488750 2.719185
H 3.592109 3.451892 1.170051
H 1.842931 3.051471 1.199235


