%chk=000224803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224803

0 1
S 4.933091 -0.833972 1.151662
N -4.383500 0.037027 0.073654
N -0.885266 0.375773 -1.337590
N 1.515251 1.613942 -0.631113
C -2.931087 0.392760 0.127006
C -2.319980 0.024218 -1.245850
C -5.227008 1.006163 0.848550
C -4.608225 -1.375648 0.532324
C 0.074978 -0.358211 -0.627846
C 1.362276 0.261798 -0.340108
C -5.320415 2.336321 0.099610
C -5.947604 -1.887378 0.000135
C 2.407098 -0.516350 0.235739
C -0.115810 -1.691270 -0.269277
C 2.168462 -1.880770 0.556506
C 3.658473 0.156281 0.468579
C 0.931657 -2.437515 0.310891
C 3.806295 1.483352 0.163696
C 2.685771 2.188623 -0.387044
C 6.365341 0.247433 1.322631
H -2.377178 -0.114546 0.945066
H -2.805826 1.482628 0.306141
H -2.859054 0.564854 -2.057995
H -2.460184 -1.059059 -1.458949
H -6.248294 0.571695 0.944794
H -4.854026 1.171882 1.882111
H -3.790274 -2.011857 0.126213
H -4.569303 -1.480642 1.638164
H -0.703239 1.381228 -1.427712
H -4.361212 2.865503 0.077270
H -5.621059 2.175389 -0.944907
H -6.058364 2.997868 0.564217
H -6.797649 -1.377631 0.467643
H -6.029865 -1.714447 -1.081951
H -6.058211 -2.961334 0.179843
H -1.068774 -2.180334 -0.454667
H 2.955609 -2.489194 0.997901
H 0.743987 -3.482442 0.563494
H 4.732081 2.029300 0.320517
H 2.780845 3.254791 -0.624196
H 7.177781 -0.360760 1.747514
H 6.178291 1.083372 2.006114
H 6.708819 0.640162 0.358718


%chk=000224803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224803

0 1
S 5.198370 -0.956615 1.111113
N -4.516839 0.066307 0.083035
N -0.841759 0.585680 -0.799049
N 1.647625 1.557617 -0.634327
C -3.109247 0.479801 0.300583
C -2.255943 0.265583 -0.980785
C -5.503914 0.911162 0.807310
C -4.726288 -1.391553 0.299015
C 0.104003 -0.253313 -0.245992
C 1.461847 0.268973 -0.163547
C -5.694158 2.296366 0.160613
C -5.910273 -1.957558 -0.508538
C 2.522473 -0.546258 0.381951
C -0.147730 -1.562968 0.222928
C 2.225813 -1.869332 0.838412
C 3.838494 0.053686 0.423635
C 0.912335 -2.348819 0.751594
C 4.012873 1.359150 -0.055841
C 2.890336 2.070333 -0.574909
C 6.670934 0.195072 0.952434
H -2.636286 -0.060438 1.155733
H -3.080994 1.553958 0.556614
H -2.670192 0.903907 -1.780824
H -2.362337 -0.781250 -1.328102
H -6.474133 0.381897 0.792411
H -5.226279 1.030922 1.885416
H -3.804544 -1.915755 -0.017658
H -4.860875 -1.625919 1.385769
H -0.467394 1.500131 -1.076457
H -4.755528 2.880154 0.153511
H -6.032323 2.183763 -0.884220
H -6.448141 2.883703 0.717610
H -6.866676 -1.481614 -0.225616
H -5.751401 -1.783297 -1.586951
H -6.013778 -3.045064 -0.334440
H -1.158607 -1.980446 0.184569
H 3.017270 -2.501308 1.252919
H 0.686961 -3.362089 1.104259
H 4.986280 1.855738 -0.046901
H 3.020822 3.091504 -0.951707
H 7.524733 -0.375991 1.348214
H 6.523930 1.103772 1.556600
H 6.855240 0.449412 -0.102884


