%chk=000189997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189997

0 1
S 0.977928 -2.600650 -0.827327
S 0.978517 2.601136 0.827723
O -5.618107 0.399969 1.004669
O -5.617938 -0.398354 -1.005649
N 2.775425 -0.639496 -0.316812
N 2.775600 0.639362 0.317951
N 0.636940 0.000299 0.000209
N -5.053052 0.000764 -0.000426
C 3.986146 -1.488616 -0.125040
C 3.986390 1.488291 0.125596
C 5.237492 -0.646968 -0.411331
C 5.237739 0.646472 0.411371
C 1.455119 -1.112020 -0.361212
C 1.455358 1.112351 0.361822
C -0.807998 0.000468 0.000044
C -1.493231 0.466301 1.136020
C -1.493047 -0.465253 -1.136086
C -2.886464 0.469065 1.130783
C -2.886283 -0.467813 -1.131160
C -3.574234 0.000676 -0.000265
H 3.902934 -2.347355 -0.836364
H 4.010940 -1.909660 0.906672
H 3.903608 2.347033 0.836964
H 4.010818 1.909342 -0.906118
H 5.296460 -0.409709 -1.494003
H 6.140771 -1.248007 -0.183955
H 5.297106 0.409198 1.494018
H 6.141003 1.247397 0.183635
H -0.949265 0.829343 2.012462
H -0.948929 -0.828384 -2.012398
H -3.448781 0.830223 2.000485
H -3.448463 -0.828903 -2.000980


%chk=000189997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189997

0 1
S 0.996853 -2.711274 -0.750623
S 0.997496 2.711704 0.750918
O -5.651677 0.482170 1.033718
O -5.651596 -0.481493 -1.034017
N 2.766924 -0.660341 -0.267262
N 2.767077 0.660314 0.267737
N 0.661782 0.000252 0.000164
N -5.044962 0.001062 -0.000461
C 3.983334 -1.490277 -0.183028
C 3.983654 1.489999 0.183418
C 5.231410 -0.626949 -0.452824
C 5.231567 0.626411 0.453136
C 1.465076 -1.122764 -0.363007
C 1.465330 1.123022 0.363531
C -0.773321 0.000459 0.000004
C -1.472752 0.504429 1.123264
C -1.472648 -0.503329 -1.123403
C -2.878802 0.507451 1.125870
C -2.878699 -0.505959 -1.126314
C -3.563391 0.000849 -0.000300
H 3.856948 -2.300618 -0.919605
H 4.035735 -1.953226 0.823634
H 3.857484 2.300366 0.920004
H 4.036089 1.952937 -0.823247
H 5.253769 -0.322969 -1.516780
H 6.128869 -1.242301 -0.265645
H 5.253931 0.322426 1.517090
H 6.129142 1.241578 0.265902
H -0.918979 0.892540 1.980725
H -0.918796 -0.891604 -1.980739
H -3.448264 0.886601 1.977717
H -3.448081 -0.884963 -1.978279


