%chk=000206540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206540

0 1
S 4.326298 -1.600682 -0.093502
O -0.368889 -0.682124 -1.404849
O -0.440333 3.046148 1.315784
O 3.458636 -2.633502 -0.615337
O 5.635661 -1.362968 -0.664719
N -0.055730 1.156266 -0.011167
N 4.611189 -2.013750 1.553034
C -2.343005 0.614712 -0.624311
C -2.318469 1.779186 0.400290
C -0.848019 0.216788 -0.766285
C -3.221136 -0.531791 -0.152350
C -2.806615 1.079672 -2.007702
C -0.872549 2.129815 0.666063
C 1.386321 1.129330 0.054315
C -2.805566 -1.867235 -0.223786
C -4.509149 -0.239039 0.330186
C 2.072693 -0.094272 -0.060395
C 2.099042 2.329829 0.238351
C -3.653234 -2.893003 0.208165
C -5.352391 -1.265536 0.759149
C 3.465232 -0.099400 0.016267
C -4.924705 -2.596605 0.704236
C 3.492582 2.300181 0.302356
C 4.180907 1.087659 0.189488
H -2.807605 1.501894 1.359548
H -2.874493 2.667330 0.041111
H -2.719105 0.266059 -2.745347
H -3.861353 1.382545 -1.996783
H -2.220405 1.926318 -2.383880
H -1.823811 -2.130795 -0.629217
H -4.862453 0.790059 0.365411
H 1.521413 -1.030774 -0.232026
H 1.567571 3.280986 0.345306
H -3.315981 -3.928134 0.151764
H -6.347016 -1.029091 1.134916
H -5.581722 -3.396397 1.041723
H 4.046013 3.229569 0.441332
H 5.274855 1.076331 0.227521
H 5.573264 -2.031492 1.883410
H 4.110957 -2.809487 1.942228


%chk=000206540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206540

0 1
S 4.404801 -1.668590 0.095767
O -0.377473 -0.666632 -1.442580
O -0.412846 3.131061 1.324969
O 3.397622 -2.826724 -0.446100
O 5.890502 -1.403892 -0.516448
N -0.049818 1.187195 -0.005305
N 4.656472 -1.966336 1.896469
C -2.344050 0.620938 -0.564707
C -2.312747 1.771643 0.480773
C -0.851736 0.247199 -0.731733
C -3.238743 -0.564992 -0.138754
C -2.826918 1.137736 -1.961388
C -0.853119 2.158373 0.673045
C 1.389658 1.169422 0.013395
C -2.933144 -1.910933 -0.465862
C -4.461907 -0.291255 0.530353
C 2.076296 -0.070868 0.036740
C 2.116070 2.386950 0.019539
C -3.816737 -2.954375 -0.106478
C -5.346669 -1.333409 0.882881
C 3.474395 -0.026350 0.070074
C -5.024805 -2.673643 0.569672
C 3.526835 2.372175 0.045459
C 4.236071 1.151132 0.069654
H -2.699876 1.449522 1.463805
H -2.890674 2.659971 0.175124
H -2.712218 0.344321 -2.718653
H -3.893375 1.416228 -1.903284
H -2.245884 2.021112 -2.285706
H -2.009664 -2.143516 -1.003583
H -4.737619 0.741318 0.776504
H 1.547743 -1.026487 -0.003509
H 1.579887 3.337662 0.013054
H -3.558002 -3.988443 -0.360146
H -6.283675 -1.098506 1.400125
H -5.707320 -3.485027 0.845358
H 4.075727 3.318846 0.042772
H 5.329402 1.110183 0.064519
H 5.671348 -2.080774 2.057011
H 4.105089 -2.797631 2.167471


