%chk=000189954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189954

-1 1
S -0.999997 0.823523 1.594334
O 1.035387 -0.738863 0.685896
O 3.821311 2.280532 0.246330
O 1.003801 3.003259 0.383005
O 4.197151 -0.243638 -1.353937
O 2.027573 -3.359638 -1.122006
O 3.203718 -2.879901 0.841947
O -1.707741 0.853987 -1.528092
N -2.648315 0.342759 -0.652251
C 2.732965 1.386188 -0.213938
C 1.524794 1.662981 0.697854
C 3.214770 -0.072599 -0.251876
C 2.026816 -1.057148 -0.364057
C 0.433047 0.616254 0.429634
C 2.487158 -2.483129 -0.111644
C -2.484130 0.169592 0.695750
C -3.455178 -0.455045 1.516509
C -3.938928 -0.048680 -1.339773
C -4.589917 -1.065953 0.877929
C -4.820303 -0.943705 -0.484313
H 2.423332 1.684684 -1.241627
H 1.871656 1.609453 1.752049
H 3.793926 -0.300181 0.656719
H 1.559613 -0.999465 -1.370615
H -0.020980 0.655839 -0.582998
H 4.615534 2.069352 -0.310173
H 1.711613 3.643247 0.653850
H 3.698411 -0.182658 -2.211119
H -3.295548 -0.509142 2.597549
H -3.607287 -0.537402 -2.281354
H -4.434290 0.906173 -1.652372
H 2.317441 -4.281563 -0.881635
H -5.262720 -1.686719 1.488563
H -5.621386 -1.502894 -0.988441


%chk=000189954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189954

-1 1
S -1.101782 1.232101 1.643475
O 0.805634 -0.495999 0.695718
O 3.900066 2.215063 0.182340
O 1.346589 3.190451 1.024993
O 3.853511 -0.168808 -1.542900
O 1.127372 -3.043006 -1.297392
O 2.770306 -2.885740 0.347095
O -1.474308 0.803031 -1.479201
N -2.312081 0.102362 -0.620753
C 2.663650 1.485325 -0.159744
C 1.638224 1.754471 0.960669
C 2.961775 -0.010090 -0.361726
C 1.655658 -0.830068 -0.479732
C 0.394447 0.943864 0.581165
C 1.933260 -2.318335 -0.399362
C -2.330559 0.193868 0.745788
C -3.352286 -0.404517 1.523220
C -3.156320 -0.954185 -1.272876
C -4.504214 -0.920930 0.830980
C -4.481830 -1.102002 -0.544063
H 2.239378 1.902896 -1.101620
H 2.052946 1.395074 1.927473
H 3.560768 -0.401012 0.477204
H 1.093523 -0.590740 -1.410198
H 0.016399 1.118596 -0.456044
H 4.595899 1.910958 -0.457261
H 2.228486 3.647760 1.051110
H 3.309626 -0.002357 -2.357358
H -3.278584 -0.389394 2.612872
H -2.559816 -1.903342 -1.300373
H -3.280344 -0.615687 -2.317473
H 1.301335 -4.012970 -1.155228
H -5.423422 -1.121480 1.400839
H -5.380005 -1.365657 -1.115941


