%chk=000217030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217030

0 1
S 3.812256 -0.003859 -0.713621
O 3.617323 0.199317 -2.385099
O 4.546655 1.153006 -0.271544
O 4.388530 -1.322930 -0.603178
N -1.740995 -0.035146 1.135232
N -4.364802 -0.018228 -0.098836
N 0.147840 -1.162160 0.254745
C -2.545455 -1.286779 1.016563
C -2.612655 1.172519 1.186100
C -3.479261 -1.225422 -0.208313
C -3.538709 1.233601 -0.046598
C -0.459530 0.041162 0.615376
C -5.317705 0.035254 -1.246174
C 0.265686 1.272028 0.553442
C 1.587466 1.252275 0.150366
C 2.203217 0.036465 -0.202590
C 1.434077 -1.143961 -0.128671
H -3.139939 -1.386511 1.954466
H -1.880324 -2.178940 0.952212
H -2.006283 2.100547 1.265798
H -3.223342 1.100678 2.118665
H -2.880233 -1.250861 -1.144311
H -4.129001 -2.128093 -0.215929
H -4.230955 2.097718 0.058852
H -2.941082 1.406473 -0.967254
H -4.850303 0.108487 -2.239253
H -5.991851 0.897488 -1.114354
H -5.950480 -0.867788 -1.227201
H -0.215978 2.205493 0.833193
H 2.163612 2.185729 0.107174
H 1.871946 -2.123990 -0.391574
H 4.361377 -0.072474 -2.936385


%chk=000217030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217030

0 1
S 4.118796 -0.084313 -0.514833
O 3.963451 0.123874 -2.366483
O 4.882699 1.219585 0.073978
O 4.693413 -1.572001 -0.229792
N -1.742096 0.027608 0.699199
N -4.529920 -0.037080 -0.023109
N 0.219619 -1.135115 0.148270
C -2.492315 -1.250866 0.712547
C -2.603948 1.202418 0.935991
C -3.651799 -1.200437 -0.299790
C -3.763621 1.226975 -0.084475
C -0.387273 0.076686 0.437872
C -5.731546 -0.013106 -0.879641
C 0.376589 1.299100 0.471322
C 1.742363 1.257751 0.174114
C 2.319168 0.006668 -0.133901
C 1.541556 -1.166181 -0.130559
H -2.906894 -1.404867 1.728468
H -1.789929 -2.062369 0.474379
H -2.030199 2.137395 0.859836
H -3.029380 1.135794 1.957030
H -3.231565 -1.165934 -1.337423
H -4.250306 -2.125399 -0.207033
H -4.440179 2.066440 0.162181
H -3.342649 1.413486 -1.106769
H -5.498026 0.095545 -1.968364
H -6.383275 0.828032 -0.582972
H -6.300628 -0.949740 -0.743600
H -0.080220 2.255641 0.731355
H 2.357281 2.162860 0.196712
H 1.983932 -2.144425 -0.345450
H 4.888003 0.067072 -2.747761


