%chk=000215963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215963

0 1
S 5.896601 1.003554 -1.266102
O -5.733274 -0.117176 -1.016810
N 4.329567 -0.293315 0.488904
C 2.976268 -0.444832 -0.141385
C 1.926620 0.218617 0.766311
C 5.316484 -1.293751 -0.024841
C 0.512001 -0.008381 0.222531
C 4.906471 1.047160 0.304229
C 5.967771 -0.817136 -1.329035
C -0.545287 0.659239 1.116724
C -1.929256 0.419177 0.579464
C -2.474032 1.291976 -0.383273
C -2.682616 -0.674666 1.020395
C -3.748556 1.080546 -0.893258
C -3.969795 -0.911020 0.523458
C -4.487843 -0.028011 -0.428998
C -6.590485 -1.212242 -0.617419
H 2.927788 -0.020796 -1.167804
H 2.750317 -1.529303 -0.236214
H 2.130570 1.302587 0.859291
H 2.016584 -0.188379 1.793820
H 4.832066 -2.283554 -0.149975
H 6.088089 -1.421950 0.769848
H 0.428742 0.386998 -0.808882
H 0.299748 -1.092758 0.145637
H 4.149667 1.850226 0.239006
H 5.593358 1.272606 1.146069
H 7.017147 -1.144129 -1.417511
H 5.430287 -1.172376 -2.224350
H -0.345242 1.747276 1.193507
H -0.459623 0.276440 2.153919
H -1.888967 2.142606 -0.732692
H -2.267420 -1.357310 1.761391
H -4.186951 1.743338 -1.635315
H -4.538009 -1.762727 0.879256
H -6.823187 -1.144133 0.449006
H -6.129324 -2.169895 -0.874665
H -7.485277 -1.030709 -1.227039


%chk=000215963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215963

0 1
S 5.742739 1.038632 -1.556835
O -5.787270 -0.101212 -1.132761
N 4.427590 -0.262818 0.515603
C 3.045776 -0.466096 -0.013332
C 1.971161 0.195961 0.871496
C 5.425520 -1.234421 0.007382
C 0.546803 -0.026529 0.316567
C 4.976133 1.051264 0.289856
C 5.816337 -0.854678 -1.463629
C -0.551264 0.633191 1.196428
C -1.950678 0.433753 0.632909
C -2.470402 1.312034 -0.357378
C -2.759888 -0.654345 1.036768
C -3.742241 1.111132 -0.923777
C -4.041842 -0.877230 0.480761
C -4.533062 0.011090 -0.506705
C -6.638573 -1.223235 -0.735876
H 2.958959 -0.084807 -1.058073
H 2.862084 -1.556609 -0.042753
H 2.162723 1.285355 0.950483
H 2.053208 -0.213313 1.897354
H 5.023658 -2.260137 0.069110
H 6.326796 -1.173713 0.644874
H 0.476151 0.380293 -0.712596
H 0.337808 -1.112652 0.236003
H 4.223621 1.849431 0.335403
H 5.827862 1.258977 0.953504
H 6.837143 -1.188223 -1.708078
H 5.103021 -1.269452 -2.194580
H -0.327606 1.715147 1.285471
H -0.487481 0.210657 2.218562
H -1.869760 2.169635 -0.685583
H -2.387832 -1.344431 1.804653
H -4.145485 1.788772 -1.682683
H -4.637668 -1.728465 0.824396
H -6.899743 -1.172322 0.339530
H -6.152969 -2.195140 -0.952395
H -7.550329 -1.121700 -1.342881


