%chk=000281349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281349

0 1
S 3.359935 -1.908956 -0.627944
O -5.354987 2.209651 1.095465
O -4.134161 0.809742 2.342049
O -6.282652 -1.070573 0.675129
O 3.263982 0.909301 0.404120
O 3.540948 -2.840015 -1.721424
O 3.969890 -2.149474 0.647828
N -3.028188 0.185427 -0.387390
N -2.429113 -0.810699 0.050485
N 4.081794 -0.468581 -1.318095
N 3.408523 2.215111 0.883777
C -4.475022 0.304605 -0.081229
C -5.101254 1.268383 -1.114186
C -5.819290 2.341155 -0.283148
C -4.603584 1.069655 1.275025
C -5.320227 -1.004242 -0.044730
C -4.909453 -2.090503 -0.980294
C 1.698589 -1.520800 -0.453732
C -1.010370 -0.951781 -0.179440
C 1.236359 -0.857294 0.690727
C 0.799094 -1.896561 -1.461613
C 4.136178 0.763389 -0.696835
C -0.120997 -0.565277 0.835566
C -0.559481 -1.614492 -1.336426
C 4.817243 1.949787 -0.908980
C 4.316224 2.845929 0.123147
C 5.825468 2.253992 -1.939737
C 4.724829 4.249551 0.341673
H -5.793881 0.754849 -1.803977
H -4.316668 1.722042 -1.757091
H -5.561050 3.375282 -0.564908
H -6.914101 2.207872 -0.237847
H -4.517028 -1.729825 -1.937629
H -4.124120 -2.719439 -0.520096
H -5.753278 -2.768365 -1.191354
H 4.658043 -0.553957 -2.170356
H 1.940398 -0.553027 1.481436
H 1.163426 -2.421272 -2.354856
H -0.482477 -0.044092 1.725575
H -1.258437 -1.903329 -2.118656
H 5.353992 2.495597 -2.904510
H 6.444983 3.117836 -1.655792
H 6.512855 1.411187 -2.102271
H 4.574118 4.853152 -0.566438
H 4.154131 4.727228 1.155465
H 5.791115 4.311733 0.611716


%chk=000281349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281349

0 1
S 3.019211 -0.681541 -1.769364
O -6.555364 1.829204 -0.786475
O -4.542940 2.341202 0.251365
O -6.304326 -0.267544 1.703949
O 3.525723 2.102225 0.236494
O 3.069585 -1.305677 -3.276044
O 3.835294 -1.344037 -0.522945
N -3.715482 -0.262873 -0.944849
N -2.787909 -0.145804 -0.040006
N 3.620728 1.293684 -1.977333
N 4.418549 2.589058 1.282788
C -5.070974 -0.049691 -0.382220
C -6.151353 -0.460281 -1.420392
C -7.266948 0.585130 -1.211850
C -5.313655 1.508695 -0.231859
C -5.391719 -0.742697 0.982876
C -4.667784 -2.028745 1.327634
C 1.216084 -0.489982 -1.267174
C -1.442091 -0.267912 -0.541492
C 0.927772 -0.261405 0.087605
C 0.244095 -0.601325 -2.279737
C 4.317067 1.749858 -0.882937
C -0.431550 -0.149293 0.446390
C -1.107038 -0.491367 -1.906351
C 5.667990 1.991022 -0.589392
C 5.667627 2.531217 0.745499
C 6.857221 1.731959 -1.467008
C 6.845419 2.972255 1.566322
H -6.520028 -1.491352 -1.288004
H -5.698047 -0.373708 -2.423188
H -7.820265 0.839326 -2.127605
H -7.960528 0.310894 -0.400261
H -4.475518 -2.647991 0.433552
H -3.683471 -1.778327 1.763168
H -5.257687 -2.588966 2.069774
H 4.201627 1.215981 -2.834284
H 1.726696 -0.174467 0.829265
H 0.546900 -0.786111 -3.315272
H -0.730343 0.041614 1.481284
H -1.909234 -0.572617 -2.645224
H 7.306623 2.673140 -1.837276
H 7.644777 1.189287 -0.913177
H 6.590083 1.118352 -2.346005
H 7.363553 3.825289 1.091403
H 6.514489 3.280983 2.570893
H 7.579438 2.153242 1.675663


