%chk=000218879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218879

0 1
S -7.241039 0.160746 1.548745
S 7.322052 -0.386620 0.714758
O 1.702197 0.865004 -0.174142
N -5.577914 0.122706 -0.559769
N 3.338240 -0.714836 0.433077
C -4.331617 -0.595452 -0.133218
C -3.126116 0.334699 -0.351997
C -6.698584 -0.814771 -0.882539
C -1.812523 -0.384737 -0.023845
C -6.064884 1.080329 0.445397
C -7.469410 -1.219749 0.379912
C -0.610418 0.541108 -0.239515
C 0.692055 -0.183280 0.081095
C 3.004461 0.546013 0.021779
C 3.941464 1.581099 -0.225850
C 5.283258 1.281639 -0.034616
C 5.648409 -0.008419 0.385623
C 4.662099 -0.976324 0.612121
C 7.922482 -0.979701 -0.886742
H -4.371859 -0.941090 0.922588
H -4.214921 -1.506422 -0.759755
H -3.227367 1.246302 0.268149
H -3.120783 0.691755 -1.402126
H -7.371084 -0.279111 -1.592788
H -6.314939 -1.701333 -1.427352
H -1.709720 -1.289897 -0.654696
H -1.829905 -0.743881 1.024459
H -5.260925 1.528358 1.057521
H -6.622003 1.895457 -0.061434
H -8.544958 -1.366387 0.185218
H -7.082437 -2.148340 0.832259
H -0.585051 0.913671 -1.284169
H -0.697564 1.450464 0.389923
H 0.780783 -0.495335 1.134942
H 0.904693 -1.034451 -0.586531
H 3.597753 2.559628 -0.547662
H 6.047902 2.043257 -0.206994
H 4.907608 -1.993598 0.947457
H 7.843186 -0.211126 -1.661988
H 8.981698 -1.241741 -0.765635
H 7.382178 -1.871435 -1.220061


%chk=000218879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218879

0 1
S -7.104139 0.002427 1.803685
S 7.413230 -0.617325 0.867373
O 1.755581 1.030821 -0.226435
N -5.688748 0.091390 -0.585012
N 3.314134 -0.635943 0.413037
C -4.378379 -0.537622 -0.245065
C -3.189628 0.420241 -0.459148
C -6.787937 -0.877495 -0.812246
C -1.835422 -0.262212 -0.161121
C -6.172873 1.049747 0.377634
C -7.292345 -1.424728 0.568506
C -0.638493 0.702006 -0.330952
C 0.691005 0.008456 -0.030876
C 3.061079 0.639066 0.019097
C 4.071435 1.624689 -0.157604
C 5.402685 1.248381 0.085570
C 5.692400 -0.083141 0.490838
C 4.615617 -0.981796 0.644577
C 7.959392 -1.162624 -0.864501
H -4.373925 -0.909858 0.806755
H -4.254921 -1.414023 -0.908902
H -3.295318 1.309934 0.193273
H -3.212147 0.787456 -1.503249
H -7.619447 -0.349139 -1.313946
H -6.445414 -1.692699 -1.472302
H -1.707522 -1.135518 -0.834140
H -1.844182 -0.662980 0.874025
H -5.372307 1.629268 0.855472
H -6.946137 1.704012 -0.049949
H -8.351763 -1.722139 0.520207
H -6.683302 -2.274232 0.918669
H -0.616719 1.100120 -1.363673
H -0.755056 1.569695 0.346522
H 0.743019 -0.368163 1.007653
H 0.883820 -0.842361 -0.710876
H 3.796287 2.636065 -0.466372
H 6.215413 1.973328 -0.024645
H 4.795423 -2.012132 0.970270
H 7.912999 -0.311350 -1.560517
H 8.999735 -1.510024 -0.762967
H 7.319366 -1.985400 -1.217067


