%chk=000198973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198973

0 1
S 2.930266 -0.030318 -2.073708
P 2.833252 -0.127229 -0.187900
O 1.594025 -1.056515 0.430577
O 4.075897 -0.815066 0.630706
O 2.635348 1.256569 0.673564
O -1.940605 2.050208 0.076395
N -4.971230 -0.225241 -0.854852
C 0.283031 -0.738551 0.130202
C -0.228778 0.547889 0.212489
C -1.609026 0.735465 -0.041877
C -0.522375 -1.859032 -0.179362
C -2.444446 -0.358005 -0.359209
C -1.868054 -1.654502 -0.416946
C 4.553415 -2.081042 0.104321
C 3.521840 2.347382 0.309856
C -3.304069 2.493964 -0.138888
C -3.835535 -0.260291 -0.629074
H 0.376385 1.418004 0.487241
H -0.070454 -2.847697 -0.223743
H -2.513762 -2.503666 -0.660833
H 5.397052 -2.299062 0.777914
H 4.912112 -1.983589 -0.929182
H 3.784762 -2.857680 0.204067
H 3.173697 3.150039 0.979436
H 3.386786 2.648341 -0.738078
H 4.564839 2.096546 0.539259
H -3.974300 2.042692 0.599068
H -3.615158 2.288407 -1.167813
H -3.207316 3.575679 0.030969


%chk=000198973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198973

0 1
S 2.890781 0.321099 -2.184412
P 2.871354 -0.057746 -0.162991
O 1.557865 -1.000539 0.499182
O 4.181931 -0.949966 0.503687
O 2.824057 1.273451 0.925033
O -2.047878 2.087082 -0.242196
N -5.171088 -0.377368 -0.665521
C 0.195162 -0.750105 0.222727
C -0.321179 0.548142 0.098671
C -1.705236 0.743320 -0.140245
C -0.638525 -1.891787 0.129322
C -2.574105 -0.392937 -0.239525
C -2.005913 -1.698796 -0.092827
C 4.700708 -2.121501 -0.241660
C 3.806635 2.368986 0.729742
C -3.428931 2.523413 -0.511213
C -3.989621 -0.333591 -0.474029
H 0.316404 1.430288 0.202035
H -0.205583 -2.889470 0.231449
H -2.673591 -2.562522 -0.168241
H 5.648195 -2.368819 0.258545
H 4.878587 -1.865832 -1.302343
H 3.992845 -2.964221 -0.162288
H 3.459851 3.171620 1.396250
H 3.806164 2.713113 -0.320821
H 4.813265 2.028416 1.025576
H -4.112595 2.213765 0.297463
H -3.789852 2.135674 -1.479223
H -3.362110 3.620530 -0.547548


