%chk=000271445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271445

0 1
S -0.462931 -0.844120 2.870342
P -0.275814 -0.074766 1.076066
C -1.851421 0.709656 0.486435
C 0.221693 -1.342468 -0.187628
C 1.032668 1.246121 1.035686
C -3.079933 -0.027073 0.476037
C 1.469377 -2.031108 -0.057506
C 1.563727 1.799060 -0.173041
C -1.811525 2.035205 0.135693
C -0.643122 -1.617258 -1.216896
C 1.492560 1.644890 2.265752
C -4.255813 0.652371 0.043918
C 1.798684 -2.998113 -1.051912
C 2.613354 2.756106 -0.059780
C -3.208884 -1.401933 0.865005
C 2.411444 -1.817278 1.003269
C 1.101733 1.472654 -1.489821
C -2.996028 2.706677 -0.285106
C -0.309757 -2.596454 -2.195997
C 2.533030 2.615330 2.367013
C -4.187348 2.030427 -0.333774
C 0.883886 -3.267073 -2.117399
C 3.085868 3.149456 1.233199
C -5.507390 -0.041227 -0.005175
C 3.042739 -3.703766 -0.980874
C 3.190655 3.329445 -1.236871
C -4.422250 -2.041165 0.813023
C 3.595076 -2.510284 1.048706
C 1.670493 2.040175 -2.603550
C -5.589802 -1.357610 0.367864
C 3.922119 -3.464356 0.042682
C 2.733484 2.978754 -2.481311
H -0.895196 2.634457 0.160252
H -1.606570 -1.112442 -1.340606
H 1.098690 1.245384 3.213865
H -2.343268 -1.958485 1.237874
H 2.190329 -1.110668 1.806587
H 0.286839 0.763412 -1.626655
H -2.933167 3.758218 -0.560260
H -1.017500 -2.798887 -2.998000
H 2.876989 2.911799 3.357208
H -5.101616 2.530815 -0.654472
H 1.153601 -4.016649 -2.861845
H 3.890599 3.882924 1.294619
H -6.390557 0.500844 -0.340608
H 3.271996 -4.434375 -1.755323
H 4.000339 4.049835 -1.122431
H -4.510374 -3.083548 1.120632
H 4.301833 -2.344128 1.861712
H 1.314998 1.779169 -3.600469
H -6.536320 -1.894424 0.337658
H 4.870326 -3.994925 0.107480
H 3.167954 3.406300 -3.383067


%chk=000271445-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271445

0 1
S -0.425285 -0.875217 3.013847
P -0.261140 -0.078266 1.056520
C -1.874243 0.698927 0.468981
C 0.235868 -1.372991 -0.220090
C 1.049312 1.297586 1.011145
C -3.122400 -0.035475 0.495895
C 1.473914 -2.107145 -0.083353
C 1.620350 1.857877 -0.193494
C -1.857061 2.043251 0.076688
C -0.622220 -1.629622 -1.296940
C 1.476229 1.734949 2.268315
C -4.332923 0.652813 0.077588
C 1.808290 -3.084893 -1.106409
C 2.658416 2.868738 -0.048851
C -3.232535 -1.405065 0.913884
C 2.394158 -1.919856 1.002298
C 1.219861 1.496765 -1.524509
C -3.054105 2.710656 -0.323909
C -0.292661 -2.606223 -2.284660
C 2.484462 2.737086 2.398183
C -4.267187 2.025750 -0.328445
C 0.903661 -3.314975 -2.193627
C 3.068834 3.287611 1.258759
C -5.582454 -0.051534 0.079320
C 3.041144 -3.811114 -1.011488
C 3.252370 3.445648 -1.220190
C -4.465593 -2.061076 0.905955
C 3.586531 -2.644386 1.065222
C 1.815250 2.080320 -2.644924
C -5.652143 -1.385067 0.482559
C 3.919212 -3.595285 0.050603
C 2.844553 3.060891 -2.497374
H -0.920303 2.606862 0.085245
H -1.557610 -1.071975 -1.403060
H 1.031698 1.272399 3.159579
H -2.343647 -1.929090 1.278187
H 2.140282 -1.226536 1.809068
H 0.437819 0.748181 -1.669227
H -3.004667 3.761969 -0.625441
H -0.987021 -2.785883 -3.111980
H 2.795010 3.059970 3.397230
H -5.190510 2.530398 -0.637274
H 1.168893 -4.060688 -2.952655
H 3.851405 4.050940 1.346230
H -6.485751 0.481473 -0.240921
H 3.280692 -4.543725 -1.791519
H 4.035486 4.202456 -1.091438
H -4.525018 -3.103590 1.236568
H 4.270753 -2.488918 1.906308
H 1.490254 1.782289 -3.647640
H -6.611065 -1.914637 0.483272
H 4.858566 -4.155156 0.115463
H 3.304763 3.507479 -3.385293


