%chk=000180155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180155

0 1
O 0.228094 0.141891 -0.010229
O 4.896959 0.885836 -0.446344
O 5.715439 -2.853027 0.992638
N -6.599573 -1.135676 -0.788025
N -6.628481 -0.412430 1.314659
N -7.719936 -1.627495 -0.163706
N -7.709176 -1.188451 1.065020
C -2.101360 0.198111 0.027985
C -3.421398 -0.538087 0.267456
C 2.511226 0.532819 -0.248369
C -0.911156 -0.691903 0.381171
C -4.620072 0.363746 -0.069066
C 2.166441 1.873252 -0.829567
C 1.492936 -0.357690 0.155259
C 2.709511 3.040076 0.011391
C 3.841123 0.085328 -0.107218
C -5.896521 -0.352635 0.160451
C 4.164688 -1.198179 0.384002
C 1.775640 -1.637786 0.664919
C 3.102271 -2.038904 0.766397
C 2.344932 4.391057 -0.593318
C 5.541948 -1.738093 0.535177
C -6.277521 -1.411705 -2.191559
C 6.697493 -0.886887 0.111042
H -2.014020 0.527507 -1.027976
H -2.055551 1.131262 0.628033
H -3.493881 -0.862599 1.328187
H -3.461231 -1.466189 -0.335481
H -0.881117 -1.626174 -0.204216
H -0.836528 -0.903338 1.461490
H -4.598217 1.276928 0.574609
H -4.555338 0.732817 -1.114113
H 1.060510 1.971062 -0.917827
H 2.540222 1.936462 -1.872371
H 2.315878 2.965741 1.045423
H 3.816393 2.956614 0.106856
H 0.986567 -2.311835 0.977623
H 3.347750 -3.036793 1.155825
H 2.738870 4.506892 -1.609333
H 1.257970 4.528158 -0.647671
H 2.744264 5.215994 0.009132
H -5.253916 -1.817199 -2.285473
H -6.982831 -2.158982 -2.611461
H -6.360036 -0.491929 -2.800287
H 4.607094 1.823620 -0.678074
H 7.653045 -1.409553 0.252399
H 6.618171 -0.595540 -0.947191
H 6.733923 0.053606 0.681732


%chk=000180155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180155

0 1
O 0.281552 0.283592 -0.124327
O 5.049435 0.881614 -0.569946
O 5.671079 -3.006793 1.052759
N -6.648952 -1.202335 -0.674995
N -6.631929 -0.342716 1.375056
N -7.783965 -1.720935 -0.011865
N -7.750306 -1.192288 1.225495
C -2.130857 0.288269 -0.090551
C -3.431606 -0.488724 0.210609
C 2.639237 0.567703 -0.355731
C -0.886673 -0.539966 0.240480
C -4.693543 0.359381 -0.114552
C 2.376927 1.954397 -0.922123
C 1.561942 -0.263938 0.052890
C 2.500710 3.086877 0.140051
C 3.962505 0.074092 -0.190327
C -5.969825 -0.367710 0.184613
C 4.234703 -1.219258 0.352062
C 1.793944 -1.552597 0.600210
C 3.113796 -2.003374 0.736884
C 2.265241 4.486268 -0.465034
C 5.591194 -1.839007 0.556806
C -6.386885 -1.559166 -2.070201
C 6.861841 -1.093702 0.181610
H -2.094560 0.574001 -1.159756
H -2.105577 1.226090 0.496388
H -3.469267 -0.778114 1.278200
H -3.451044 -1.430382 -0.375300
H -0.870060 -1.485359 -0.340461
H -0.847058 -0.785133 1.321407
H -4.681792 1.277001 0.499311
H -4.667860 0.672830 -1.176141
H 1.356519 1.981175 -1.340514
H 3.054464 2.175631 -1.778140
H 1.760357 2.893733 0.938928
H 3.495592 3.049550 0.627988
H 0.967290 -2.193026 0.916976
H 3.332076 -2.991759 1.154820
H 3.011315 4.719062 -1.249026
H 1.262434 4.554026 -0.926969
H 2.334065 5.272878 0.307894
H -5.367228 -1.963460 -2.184961
H -7.116046 -2.329888 -2.358840
H -6.508882 -0.683309 -2.730621
H 4.723553 1.741541 -0.937719
H 7.726230 -1.738235 0.405643
H 6.857357 -0.815867 -0.887194
H 6.940054 -0.142970 0.738213


