%chk=000245539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245539

0 1
S 0.133954 -2.965721 1.993709
N -4.995249 0.737271 -0.016718
N 4.934932 0.841934 -0.558097
C -3.754710 0.172134 0.265177
C 3.745081 0.252940 -0.139451
C -6.162273 0.557024 0.885060
C -5.252949 1.478256 -1.277396
C 6.122495 0.031511 -0.930661
C 5.121655 2.315596 -0.564799
C -1.214793 -0.951210 0.857272
C 1.306332 -0.948707 0.680157
C -3.533091 -0.525670 1.484405
C 3.615781 -1.161857 -0.074864
C -2.673894 0.291293 -0.653804
C 2.623788 1.053251 0.219702
C 0.072670 -1.565852 1.142954
C -2.293355 -1.081729 1.759419
C 2.424508 -1.739581 0.336035
C -1.438611 -0.258291 -0.351918
C 1.439207 0.455126 0.617263
C -6.233374 1.668210 1.932771
C -5.675755 0.544015 -2.411428
C 6.977224 -0.320271 0.286942
C 4.703153 2.923290 -1.904067
H -7.093964 0.539851 0.276089
H -6.101711 -0.438717 1.384908
H -6.042351 2.240746 -1.089720
H -4.337500 2.045468 -1.568013
H 5.787932 -0.899533 -1.446679
H 6.724157 0.599098 -1.675791
H 4.534056 2.774287 0.265214
H 6.189215 2.548768 -0.351846
H -4.335582 -0.634620 2.208704
H 4.452448 -1.802636 -0.339202
H -2.812097 0.805091 -1.600380
H 2.691435 2.136792 0.191222
H -2.147425 -1.622547 2.700493
H 2.349359 -2.831031 0.385676
H -0.623570 -0.170376 -1.075343
H 0.593068 1.084789 0.905236
H -5.318476 1.707571 2.539593
H -6.350169 2.656370 1.473535
H -7.076744 1.514883 2.614774
H -4.917263 -0.227879 -2.601202
H -6.609358 0.017714 -2.182001
H -5.826223 1.096832 -3.344904
H 7.373100 0.573169 0.782689
H 6.396252 -0.869165 1.041298
H 7.828392 -0.949431 0.004772
H 5.301624 2.531425 -2.734591
H 3.653847 2.697708 -2.137202
H 4.815522 4.012714 -1.896395


%chk=000245539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245539

0 1
S 0.149265 -2.975131 2.214401
N -5.079877 0.717965 -0.025179
N 5.023425 0.837132 -0.571199
C -3.824603 0.190317 0.288202
C 3.821712 0.267038 -0.142287
C -6.263641 0.467119 0.822972
C -5.295604 1.545716 -1.229326
C 6.187648 0.007024 -0.943670
C 5.196477 2.300904 -0.665414
C -1.218575 -0.907417 0.945779
C 1.325457 -0.923401 0.743073
C -3.595167 -0.523814 1.513809
C 3.688882 -1.150750 0.049136
C -2.706956 0.331277 -0.599202
C 2.665107 1.068851 0.132436
C 0.082296 -1.535091 1.257609
C -2.340298 -1.064436 1.813405
C 2.485266 -1.713550 0.487095
C -1.446693 -0.187994 -0.267363
C 1.459724 0.485823 0.551446
C -6.425330 1.485908 1.975585
C -5.623040 0.720116 -2.496435
C 7.081029 -0.382520 0.257925
C 4.708162 2.897398 -2.006963
H -7.157691 0.503550 0.171901
H -6.218930 -0.561776 1.224000
H -6.130786 2.239866 -1.016683
H -4.406861 2.179281 -1.403978
H 5.840179 -0.900059 -1.471534
H 6.786395 0.578594 -1.677821
H 4.679552 2.789732 0.180986
H 6.272695 2.521812 -0.535945
H -4.402210 -0.644417 2.241879
H 4.538671 -1.815193 -0.131626
H -2.827991 0.822608 -1.568710
H 2.703799 2.155945 0.017795
H -2.190463 -1.622049 2.744396
H 2.411964 -2.794400 0.650037
H -0.629633 -0.087255 -0.989559
H 0.610324 1.139299 0.776742
H -5.553655 1.461708 2.652154
H -6.519120 2.513994 1.581130
H -7.331995 1.260956 2.567524
H -4.804694 0.019268 -2.735621
H -6.544001 0.126750 -2.351589
H -5.777484 1.386705 -3.365303
H 7.477603 0.517748 0.761463
H 6.511661 -0.963303 1.003815
H 7.938768 -0.993870 -0.079086
H 5.256522 2.452540 -2.857013
H 3.632536 2.702609 -2.159344
H 4.870880 3.991172 -2.027246


