%chk=000193696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193696

1 1
S 1.381414 0.462870 0.812717
O 2.230419 0.421302 2.001037
O 1.757085 -0.514952 -0.210004
N 5.140277 0.621317 -0.411771
N 1.768965 1.983167 0.079529
N -5.055965 0.436190 0.087698
C 3.963706 1.389417 -1.015748
C 3.198219 2.305219 -0.020622
C 6.115616 1.574159 0.242317
C 4.669490 -0.394118 0.597540
C 5.849812 -0.109191 -1.536455
C -0.260360 0.568832 1.180225
C -1.285923 0.326230 0.208876
C -2.650203 0.485849 0.603891
C -3.698787 0.254391 -0.370703
C -0.599665 0.935317 2.479645
C -0.993326 -0.042761 -1.136514
C -2.948087 0.909136 1.928585
C -1.941976 1.114734 2.854583
C -3.365486 -0.054029 -1.677839
C -2.009120 -0.207977 -2.050217
C -5.561199 -0.740530 0.859356
C -6.022900 0.843513 -0.970896
H 4.331055 1.997475 -1.871471
H 3.251162 0.635196 -1.456521
H 3.642954 2.251452 1.006319
H 3.312296 3.368271 -0.341945
H 5.657609 2.091913 1.108579
H 7.006541 1.043591 0.628893
H 6.469106 2.349087 -0.460751
H 5.486450 -1.036093 0.961224
H 4.193752 0.075738 1.496176
H 3.872888 -1.054719 0.174973
H 5.172407 -0.830274 -2.036409
H 6.229525 0.584032 -2.307531
H 6.713186 -0.691539 -1.163114
H 1.200851 2.360357 -0.684398
H 0.184507 1.098024 3.234380
H 0.033758 -0.251829 -1.447069
H -3.994757 1.088030 2.210393
H -2.180517 1.425005 3.873425
H -4.133554 -0.214962 -2.433715
H -1.780923 -0.484850 -3.083162
H -6.457096 -0.427185 1.423948
H -4.811078 -1.085486 1.587759
H -5.837395 -1.600342 0.227233
H -6.957919 1.164786 -0.476973
H -6.276330 0.057091 -1.698201
H -5.631785 1.718646 -1.516470


%chk=000193696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193696

1 1
S 1.392971 0.332562 0.817715
O 2.250464 0.394813 2.206583
O 1.798283 -0.859147 -0.241085
N 5.347543 0.647505 -0.396230
N 1.804588 1.993666 0.023972
N -5.211068 0.304387 -0.051003
C 4.072057 1.316371 -0.975963
C 3.265987 2.216042 0.019997
C 6.288308 1.695061 0.190687
C 4.986655 -0.391810 0.673362
C 6.056537 -0.069959 -1.545941
C -0.444018 0.479465 1.185769
C -1.409370 0.313870 0.138808
C -2.800859 0.471096 0.554692
C -3.860957 0.289596 -0.434902
C -0.718366 0.811053 2.509260
C -1.093870 0.073228 -1.234759
C -3.081707 0.879814 1.896102
C -2.077876 1.039258 2.858400
C -3.490833 0.148662 -1.793463
C -2.130616 0.037521 -2.174759
C -5.711030 -0.502491 1.087762
C -6.244285 0.595176 -1.060723
H 4.416235 1.897948 -1.849247
H 3.435574 0.480410 -1.316380
H 3.592179 2.068369 1.066180
H 3.417583 3.285420 -0.210331
H 5.817636 2.164869 1.065665
H 7.221581 1.200838 0.501618
H 6.505937 2.456406 -0.574672
H 5.922131 -0.833264 1.051011
H 4.418711 0.077208 1.491403
H 4.343082 -1.159517 0.216585
H 5.358381 -0.789856 -1.998828
H 6.375809 0.669780 -2.296199
H 6.933554 -0.603654 -1.149035
H 1.336305 2.038413 -0.899736
H 0.089287 0.915964 3.240152
H -0.065723 -0.140925 -1.540029
H -4.113864 1.113374 2.168039
H -2.327038 1.358161 3.874165
H -4.262014 0.048309 -2.561337
H -1.895618 -0.134484 -3.230875
H -6.301118 0.111709 1.794262
H -4.879668 -0.973754 1.632144
H -6.366429 -1.313500 0.710111
H -7.169857 0.898893 -0.542046
H -6.484897 -0.283298 -1.698790
H -5.927596 1.429944 -1.707308


