%chk=000225599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225599

0 1
S 1.216557 -0.073607 -0.510627
O 0.494500 0.349689 0.681055
O 0.791027 0.423663 -1.805852
N 1.163379 -1.799568 -0.623523
C -1.299257 -2.557228 -0.724300
C 0.053244 -2.369198 -1.432406
C -2.066444 -1.248353 -0.511265
C -3.465552 -1.509960 0.067836
C 2.897218 0.242111 -0.270918
C 1.423105 -2.499042 0.658931
C -4.258146 -0.236981 0.201698
C 3.814615 -0.004100 -1.297420
C 3.338962 0.770181 0.947745
C -3.805634 0.795003 1.040260
C -5.463354 -0.077506 -0.498599
C 5.618969 0.788050 0.118995
C 5.170748 0.263743 -1.105660
C 4.692040 1.040851 1.146399
C -4.551548 1.967444 1.175234
C -6.207537 1.097804 -0.358139
C -5.755489 2.121705 0.478771
C 7.065342 1.092315 0.321484
H -1.158957 -3.070252 0.246166
H -1.913828 -3.249156 -1.335921
H -0.075491 -1.725551 -2.338854
H 0.404335 -3.359674 -1.807126
H -1.503671 -0.576237 0.174832
H -2.152998 -0.690247 -1.465089
H -3.377839 -1.991736 1.063988
H -4.004751 -2.240764 -0.567342
H 1.376410 -3.591762 0.515513
H 0.713495 -2.231577 1.462482
H 2.447055 -2.265411 0.999139
H 3.472603 -0.404804 -2.257300
H 2.616386 0.976566 1.747637
H -2.862938 0.685362 1.576922
H -5.820923 -0.865895 -1.156467
H 5.879470 0.071381 -1.908687
H 5.028925 1.454295 2.094919
H -4.192156 2.765329 1.822783
H -7.140994 1.214997 -0.905019
H -6.334082 3.035541 0.585996
H 7.290835 2.124751 0.009060
H 7.372802 1.002285 1.372596
H 7.721366 0.431541 -0.262125


%chk=000225599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225599

0 1
S 1.184330 -0.003618 -0.575012
O 0.390889 0.668557 0.698001
O 0.821668 0.416738 -2.108251
N 1.150511 -1.917051 -0.559329
C -1.326758 -2.649147 -0.955569
C 0.116145 -2.469971 -1.486248
C -2.073816 -1.322207 -0.701554
C -3.479805 -1.539885 -0.091472
C 3.016429 0.293106 -0.268970
C 1.134802 -2.404110 0.840789
C -4.264849 -0.253764 0.155471
C 3.919041 0.056855 -1.319298
C 3.404410 0.780314 0.987654
C -3.650538 0.892946 0.727527
C -5.646735 -0.187968 -0.159868
C 5.735847 0.796723 0.179217
C 5.285421 0.312657 -1.080221
C 4.780296 1.026753 1.202223
C -4.400336 2.063443 0.979522
C -6.400114 0.981690 0.091266
C -5.778455 2.114192 0.664830
C 7.208479 1.083662 0.408352
H -1.319433 -3.263076 -0.031197
H -1.879634 -3.244111 -1.711667
H 0.116598 -1.814706 -2.378435
H 0.527932 -3.450735 -1.801225
H -1.479718 -0.684813 -0.020332
H -2.161671 -0.757327 -1.649887
H -3.361069 -2.085251 0.869938
H -4.070575 -2.206809 -0.750760
H 1.252864 -3.502710 0.801215
H 0.211917 -2.165341 1.405778
H 2.001202 -1.987868 1.383501
H 3.564060 -0.303401 -2.289659
H 2.650674 0.977466 1.757141
H -2.581239 0.881163 0.969579
H -6.136148 -1.061772 -0.609128
H 6.012187 0.136144 -1.881784
H 5.111107 1.407288 2.175161
H -3.906233 2.938112 1.418185
H -7.466192 1.009511 -0.163022
H -6.357285 3.024377 0.859166
H 7.525247 1.987652 -0.146014
H 7.429015 1.253329 1.475683
H 7.841334 0.248963 0.056504


