%chk=000217440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217440

0 1
S -4.931386 -1.159856 -1.187472
S -5.729426 -2.824532 -0.822673
O -3.968316 -0.826618 0.093999
O 5.451956 -1.305601 -1.391604
O -6.048211 0.054480 -0.998080
O -4.252297 -0.793038 -2.389590
N -1.360304 1.385421 1.373570
C -0.003867 1.232361 0.768287
C 0.904293 0.272041 1.586245
C 0.642985 2.631788 0.666472
C 2.137423 -0.116561 0.822893
C -2.213910 0.170310 1.294418
C -0.062674 3.518154 -0.355282
C -3.158726 0.381950 0.099167
C 2.046190 -1.043477 -0.235907
C 3.382636 0.430360 1.152122
C 3.175300 -1.415421 -0.952547
C 4.537112 0.071431 0.446075
C 4.419323 -0.848392 -0.600266
C 6.780972 -0.797354 -1.127399
H -0.134098 0.814963 -0.264065
H 0.336935 -0.642698 1.856903
H 1.172001 0.737872 2.554449
H 1.708652 2.512194 0.381823
H 0.646722 3.128150 1.655433
H -1.298660 1.719546 2.338196
H -2.815341 0.041001 2.220704
H -1.650766 -0.779871 1.161356
H -1.130716 3.619665 -0.119733
H 0.009028 3.105247 -1.367743
H 0.371232 4.523365 -0.375896
H -3.831138 1.245033 0.248037
H -2.614503 0.468134 -0.858576
H 1.079134 -1.474232 -0.495611
H 3.465314 1.146231 1.969447
H 3.125531 -2.128288 -1.772723
H 5.492690 0.505672 0.717578
H 6.812659 0.284653 -1.282934
H 7.375931 -1.320930 -1.887377
H 7.101602 -1.075624 -0.119571
H -6.060184 0.761868 -1.669725


%chk=000217440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217440

0 1
S -5.033514 -0.989083 -1.411963
S -6.337404 -2.666496 -1.302560
O -4.033283 -0.803687 0.228126
O 5.557535 -1.289956 -1.498261
O -5.964460 0.639943 -1.213539
O -4.064070 -0.743792 -2.689832
N -1.272378 1.181174 1.704082
C -0.001762 1.096114 0.955920
C 1.030983 0.221684 1.750041
C 0.543194 2.513839 0.665688
C 2.251278 -0.161765 0.929058
C -2.280720 0.147767 1.583312
C -0.310756 3.324335 -0.334465
C -3.108293 0.309067 0.240269
C 2.151025 -1.137410 -0.102249
C 3.511647 0.445370 1.141033
C 3.261066 -1.489250 -0.889311
C 4.643193 0.106108 0.362085
C 4.514335 -0.865656 -0.660091
C 6.875068 -0.682468 -1.299155
H -0.177780 0.590242 -0.021295
H 0.502369 -0.688485 2.093872
H 1.324409 0.782474 2.657329
H 1.569080 2.409331 0.268873
H 0.632818 3.061841 1.627547
H -1.608704 2.124324 1.912838
H -2.987121 0.192007 2.429023
H -1.810357 -0.849954 1.580985
H -1.341722 3.493125 0.030862
H -0.382696 2.799505 -1.305227
H 0.138953 4.315943 -0.521400
H -3.647676 1.275900 0.248294
H -2.409442 0.267795 -0.619339
H 1.191371 -1.638505 -0.282546
H 3.619431 1.194158 1.935805
H 3.187867 -2.243035 -1.679184
H 5.601807 0.594200 0.562203
H 6.845149 0.411432 -1.470744
H 7.525852 -1.156900 -2.048139
H 7.264944 -0.887924 -0.282973
H -6.060140 1.006083 -2.142570


