%chk=000262783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262783

0 1
S -0.141608 1.198905 3.808255
S -0.061653 2.979000 2.772313
O 2.284204 -1.905211 0.941966
O -1.658234 0.519533 -1.091972
O 0.321872 -2.268192 -0.188367
O 0.406516 0.727370 -2.053956
N 0.436349 -0.965107 1.778052
N -0.159907 1.802663 -0.025994
C -0.947603 -0.750799 2.037860
C 1.108563 2.317276 0.363311
C -1.324492 0.246017 2.962040
C 1.266269 2.848382 1.661001
C 3.660058 -1.625990 -1.026194
C -3.358655 -0.986129 -1.717645
C 3.037979 -2.623449 -0.094067
C -1.937511 -0.604794 -2.006372
C -1.945297 -1.519212 1.403302
C 2.212806 2.299502 -0.514540
C -2.678582 0.457640 3.254689
C 2.509193 3.352033 2.069162
C 2.869946 -0.967096 -1.978310
C -3.720252 -2.341899 -1.709776
C 5.035675 -1.360083 -0.954751
C -4.324611 -0.000945 -1.468276
C -3.286372 -1.285403 1.693641
C 3.439846 2.800455 -0.092558
C -3.659713 -0.304068 2.624235
C 3.594776 3.332603 1.196809
C 0.927763 -1.764283 0.736332
C -0.362038 0.993256 -1.154163
C 3.456174 -0.056486 -2.862039
C -5.046471 -2.704910 -1.461707
C 5.617251 -0.451393 -1.842986
C -5.647452 -0.371760 -1.212260
C 4.829182 0.199651 -2.798316
C -6.010377 -1.722297 -1.211285
H 2.366644 -3.333958 -0.615626
H 3.770957 -3.174122 0.525780
H -1.203320 -1.405118 -1.770861
H -1.789786 -0.243218 -3.041034
H -1.672108 -2.283592 0.669210
H 2.111523 1.878653 -1.522262
H 1.129732 -0.524460 2.404997
H -0.961281 1.923867 0.614975
H -2.965075 1.225988 3.977477
H 2.626127 3.759799 3.076577
H 1.790770 -1.148234 -2.023834
H -2.972020 -3.111451 -1.896364
H 5.652496 -1.856922 -0.208153
H -4.032224 1.049956 -1.463429
H -4.056279 -1.869502 1.182128
H 4.292710 2.773159 -0.773868
H -4.711491 -0.136997 2.845648
H 4.559861 3.722180 1.512536
H 2.831672 0.454140 -3.596105
H -5.329345 -3.756538 -1.463654
H 6.685524 -0.250183 -1.790231
H -6.396456 0.394100 -1.016648
H 5.284906 0.904020 -3.491637
H -7.042530 -2.009046 -1.018554


%chk=000262783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262783

0 1
S 0.327278 0.822502 4.012375
S -0.253439 2.880659 2.894557
O 1.628956 -1.415773 -0.016242
O -1.591573 0.625305 -1.111355
O -0.435422 -2.534776 -0.177173
O 0.451286 1.104080 -2.179326
N 0.120955 -1.086988 1.625687
N -0.085052 1.872101 0.006626
C -1.027432 -1.125314 2.440588
C 1.058410 2.602577 0.384664
C -1.068142 -0.266489 3.592535
C 1.119098 3.118544 1.725027
C 3.402569 -1.535506 -1.683163
C -3.381540 -0.718316 -2.073800
C 2.014502 -2.015004 -1.343914
C -1.988163 -0.194312 -2.311491
C -2.134054 -1.975489 2.173853
C 2.140650 2.853002 -0.501217
C -2.198323 -0.289995 4.448862
C 2.247904 3.870339 2.139724
C 3.579183 -0.348001 -2.438180
C -3.569215 -2.022048 -1.548512
C 4.541451 -2.271282 -1.269805
C -4.515019 0.073305 -2.387452
C -3.246002 -1.975576 3.037649
C 3.250663 3.600346 -0.062962
C -3.287456 -1.141433 4.181639
C 3.314075 4.118023 1.253937
C 0.347253 -1.757731 0.432468
C -0.319081 1.204385 -1.186941
C 4.877941 0.094213 -2.774689
C -4.872923 -2.526843 -1.344265
C 5.840650 -1.827572 -1.602295
C -5.818611 -0.427684 -2.177275
C 6.010761 -0.643806 -2.357832
C -5.999721 -1.731075 -1.657298
H 1.270008 -1.680788 -2.086699
H 1.955766 -3.112996 -1.241795
H -1.254674 -1.012202 -2.412964
H -1.922900 0.463103 -3.196549
H -2.107702 -2.614528 1.290107
H 2.096044 2.451932 -1.514857
H 0.879953 -0.473449 1.954340
H -0.831584 1.814363 0.713491
H -2.203913 0.370828 5.321415
H 2.269948 4.252903 3.164978
H 2.696177 0.221992 -2.750103
H -2.690424 -2.627228 -1.296889
H 4.409246 -3.190948 -0.686737
H -4.374533 1.082145 -2.794376
H -4.092360 -2.633382 2.810815
H 4.077923 3.777629 -0.759206
H -4.155119 -1.152026 4.848578
H 4.180413 4.699948 1.583381
H 5.007262 1.008492 -3.365055
H -5.010366 -3.538545 -0.945957
H 6.715479 -2.402943 -1.279613
H -6.689328 0.190577 -2.422547
H 7.017929 -0.302184 -2.622692
H -7.011062 -2.123762 -1.501566


