%chk=000263822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263822

0 1
O 0.637579 0.282099 0.663891
O 0.519197 -0.450381 -1.503382
O -3.112052 1.045304 3.411703
O -4.152619 -1.222698 -3.149707
O -5.129701 0.714880 2.691421
O -5.849210 -0.860579 -1.849600
N -3.920718 0.723334 2.561807
N -4.658572 -0.889062 -2.095480
C 5.327955 0.064355 -1.119132
C 4.319465 0.323513 0.006547
C 5.456676 -1.463162 -1.275713
C 6.709397 0.665230 -0.800803
C 4.822654 0.690587 -2.432979
C 2.945010 0.168704 -0.258132
C 4.725936 0.670035 1.302601
C 2.041852 0.381165 0.776173
C 3.788667 0.877361 2.323096
C 2.423979 0.737627 2.077818
C -1.484557 -0.103046 -0.202592
C -0.018976 -0.129416 -0.476254
C -2.351017 -0.492551 -1.234841
C -1.990337 0.296192 1.042018
C -3.379998 0.301290 1.243664
C -3.735535 -0.477504 -1.005310
C -4.267683 -0.082828 0.229727
H 6.166662 -1.722355 -2.067955
H 5.807724 -1.933327 -0.350877
H 4.496967 -1.925237 -1.533446
H 7.161864 0.209215 0.086119
H 7.406762 0.505667 -1.631130
H 6.648245 1.745968 -0.632439
H 5.551773 0.561730 -3.239911
H 3.885623 0.233939 -2.773232
H 4.642218 1.765004 -2.319499
H 2.604164 -0.114870 -1.257854
H 5.784270 0.780612 1.536209
H 4.130142 1.150107 3.322357
H 1.679252 0.894388 2.852811
H -1.951099 -0.806901 -2.214991
H -1.307984 0.602860 1.854126
H -5.359473 -0.074854 0.399371


%chk=000263822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263822

0 1
O 0.637753 0.342605 0.690464
O 0.455282 -0.461421 -1.519217
O -3.222646 1.065047 3.477502
O -4.126693 -1.400550 -3.182517
O -5.323407 0.626866 2.700532
O -5.939324 -1.050724 -1.839965
N -4.043767 0.674386 2.564700
N -4.672533 -1.041270 -2.073053
C 5.377206 0.044831 -1.124152
C 4.379451 0.373829 0.012644
C 5.233257 -1.457072 -1.516728
C 6.848149 0.300327 -0.706851
C 5.058599 0.933923 -2.364541
C 2.987912 0.190717 -0.224452
C 4.791452 0.848582 1.282659
C 2.065006 0.483300 0.799158
C 3.846897 1.136781 2.296559
C 2.470960 0.956995 2.065498
C -1.528908 -0.119881 -0.158781
C -0.052535 -0.108900 -0.430410
C -2.382166 -0.557761 -1.199524
C -2.072675 0.286800 1.082057
C -3.469432 0.245953 1.255401
C -3.771072 -0.579660 -0.976073
C -4.349352 -0.182957 0.244334
H 5.932299 -1.702300 -2.337895
H 5.464092 -2.113512 -0.657776
H 4.211047 -1.694841 -1.860612
H 7.148709 -0.331056 0.149752
H 7.517129 0.055809 -1.551709
H 7.021987 1.359340 -0.440308
H 5.757282 0.697140 -3.188504
H 4.031363 0.768744 -2.735062
H 5.163349 2.006690 -2.119307
H 2.629999 -0.173632 -1.187785
H 5.853454 0.997788 1.493855
H 4.186907 1.502925 3.271059
H 1.721031 1.172109 2.832008
H -1.963807 -0.873246 -2.159838
H -1.426807 0.626807 1.893857
H -5.430947 -0.207119 0.399220


