%chk=000296609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296609

0 1
S 2.641517 -3.391812 0.810024
O -1.666945 -0.643670 -0.484448
C 2.103784 2.583547 -0.260287
C 2.289505 1.091609 0.034396
C 0.959830 2.706908 -1.286043
C 3.383887 3.215251 -0.839597
C 1.738021 3.345342 1.029007
C 3.270883 0.329860 -0.619892
C 1.424995 0.447624 0.936613
C 3.384992 -1.044340 -0.387078
C 1.533573 -0.923314 1.178832
C 2.509310 -1.661674 0.505794
C 1.515549 -4.108304 -0.444013
C 0.129312 -3.680561 -0.123634
C -0.419319 -2.577762 -0.644282
C -1.791348 -2.091714 -0.302620
C -2.737958 0.152515 -0.159118
C -4.005053 -0.301625 0.225314
C -2.437009 1.528159 -0.260834
C -4.990498 0.652341 0.509116
C -3.437108 2.449185 0.025090
C -4.716119 2.016876 0.411584
H 0.761445 3.752370 -1.539274
H 1.197917 2.178478 -2.215440
H 0.020852 2.273131 -0.901166
H 3.658845 2.774040 -1.803446
H 3.252485 4.289874 -1.005836
H 4.232927 3.091119 -0.158538
H 1.661891 4.421972 0.845630
H 0.775458 3.020002 1.438908
H 2.495411 3.195381 1.806196
H 3.952532 0.801100 -1.326693
H 0.645500 1.015246 1.445984
H 4.151724 -1.621793 -0.903836
H 0.851368 -1.408855 1.877692
H 1.645424 -5.207035 -0.379492
H 1.839944 -3.806409 -1.457988
H -0.402056 -4.312466 0.590548
H 0.116643 -1.924395 -1.341989
H -2.089224 -2.293652 0.741058
H -2.557078 -2.466199 -1.006959
H -4.235465 -1.357160 0.301358
H -1.429753 1.836453 -0.560729
H -5.983806 0.318066 0.809066
H -3.227928 3.516330 -0.049360
H -5.489152 2.747262 0.633580


%chk=000296609-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296609

0 1
S 2.604782 -3.352691 1.054835
O -2.024242 -0.696500 -0.184630
C 2.650168 2.743279 -0.343935
C 2.660948 1.230572 -0.019368
C 1.290980 3.117340 -1.009515
C 3.792327 3.149296 -1.310444
C 2.816121 3.553366 0.977654
C 3.627594 0.336660 -0.549073
C 1.671364 0.687670 0.845665
C 3.606117 -1.042250 -0.235339
C 1.641253 -0.684347 1.167724
C 2.611170 -1.559356 0.624015
C 1.381133 -4.007952 -0.293058
C -0.020870 -3.567760 -0.008105
C -0.678684 -2.614053 -0.720542
C -2.078711 -2.161520 -0.417064
C -3.245085 -0.019892 -0.016465
C -4.514343 -0.649367 0.038923
C -3.140447 1.388991 0.109475
C -5.672037 0.143825 0.221706
C -4.302384 2.163227 0.292090
C -5.577395 1.546407 0.349260
H 1.261168 4.200298 -1.233875
H 1.149028 2.562129 -1.954688
H 0.435969 2.883209 -0.349906
H 3.714014 2.625034 -2.280880
H 3.738198 4.234991 -1.511169
H 4.788458 2.938801 -0.878977
H 2.795522 4.639000 0.765408
H 2.006510 3.331789 1.695742
H 3.777512 3.313782 1.467892
H 4.412579 0.706934 -1.215127
H 0.901604 1.338206 1.276501
H 4.364124 -1.715148 -0.650863
H 0.866191 -1.077888 1.831775
H 1.509188 -5.101972 -0.225707
H 1.752412 -3.650082 -1.266476
H -0.508235 -4.027997 0.864035
H -0.187478 -2.119882 -1.569303
H -2.481703 -2.673317 0.480368
H -2.758138 -2.354882 -1.274865
H -4.614197 -1.735259 -0.049917
H -2.147306 1.847012 0.055708
H -6.652006 -0.345128 0.265481
H -4.214457 3.251376 0.387536
H -6.479010 2.151348 0.490699


