%chk=000245198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245198

0 1
S -4.024448 -0.359173 0.294625
O 2.433963 -0.704068 0.766158
O 0.360091 1.992420 0.595606
O 2.451457 -0.105925 -1.431630
N -1.654450 0.888244 0.449081
N -1.646053 -1.366541 -0.342759
N -0.319150 -1.375584 -0.498446
C 0.367163 -0.292104 -0.201704
C -2.389426 -0.251279 0.136703
C -0.213390 0.971927 0.309087
C -2.385736 2.080508 0.954038
C -2.350285 -2.627690 -0.708756
C 1.854420 -0.339163 -0.414442
C 3.902844 -0.735605 0.824573
C 4.443041 0.675232 0.880271
H -3.123628 2.433145 0.209412
H -1.670819 2.902191 1.156073
H -2.923456 1.844411 1.891100
H -1.629516 -3.387410 -1.064650
H -3.086496 -2.434510 -1.513211
H -2.888409 -3.033656 0.169750
H 4.048482 -1.301436 1.763710
H 4.273280 -1.306903 -0.044393
H 5.514505 0.688289 1.112831
H 4.307349 1.197834 -0.079472
H 3.928067 1.275846 1.643545


%chk=000245198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245198

0 1
S -4.163486 -0.248021 0.216819
O 2.439648 -0.442077 1.012751
O 0.479286 1.793794 0.784951
O 2.427920 -0.998673 -1.260957
N -1.638198 0.784148 0.544687
N -1.766582 -1.362094 -0.456030
N -0.401628 -1.476368 -0.537325
C 0.346310 -0.473219 -0.085735
C -2.459930 -0.266770 0.104444
C -0.201959 0.787985 0.454630
C -2.285778 1.986891 1.115457
C -2.511774 -2.526196 -0.980965
C 1.836072 -0.662837 -0.211970
C 3.939443 -0.480644 1.043479
C 4.511731 0.877015 0.629503
H -2.966594 2.432719 0.371359
H -1.488458 2.693112 1.386546
H -2.881702 1.703957 1.998676
H -1.760619 -3.227540 -1.368820
H -3.200618 -2.205034 -1.778786
H -3.108319 -2.990106 -0.178563
H 4.161488 -0.726366 2.093590
H 4.282822 -1.292015 0.377761
H 5.608914 0.873313 0.767273
H 4.298209 1.089017 -0.431347
H 4.083203 1.685005 1.245672


