%chk=000248759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248759

0 1
S -1.974004 2.114565 -1.809787
S 0.433803 1.559698 -3.526879
N 1.527627 -0.856230 -0.335329
N -0.428668 0.067458 -1.450124
C 2.273010 -2.143131 -0.130083
C 2.456631 0.321446 -0.373665
C 3.044367 -2.082230 1.199040
C 3.236403 0.408719 0.947621
C 4.006259 -0.888118 1.224321
C 0.679390 -0.931033 -1.563917
C -1.409799 -0.003655 -0.409020
C -0.539501 1.162889 -2.276387
C -2.357994 1.043890 -0.485001
C -1.506142 -0.972944 0.599672
C -3.413122 1.133238 0.415048
C -2.568085 -0.877725 1.499665
C -3.514281 0.157255 1.410190
H 2.975322 -2.365147 -0.963011
H 1.533869 -2.972118 -0.091717
H 1.841771 1.239799 -0.504532
H 3.160569 0.280343 -1.232989
H 3.595295 -3.028163 1.351091
H 2.325595 -1.997216 2.038980
H 2.530286 0.608843 1.778804
H 3.927482 1.270867 0.911556
H 4.513565 -0.828396 2.205075
H 4.806553 -1.024985 0.472612
H 1.237703 -0.737746 -2.516893
H 0.211685 -1.944106 -1.638841
H -0.755560 -1.756818 0.693517
H -4.140588 1.941269 0.348588
H -2.663296 -1.619914 2.293215
H -4.331746 0.200797 2.128279


%chk=000248759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248759

0 1
S -2.029059 2.147039 -1.900320
S 0.490075 1.538172 -3.615102
N 1.567222 -0.871013 -0.359751
N -0.415627 0.109797 -1.402965
C 2.299939 -2.146554 -0.154525
C 2.470437 0.310970 -0.362607
C 3.067271 -2.117238 1.183342
C 3.242670 0.404642 0.967471
C 4.022186 -0.902070 1.242316
C 0.659920 -0.909989 -1.513712
C -1.408930 0.029037 -0.394985
C -0.527218 1.160084 -2.316006
C -2.393142 1.048277 -0.500350
C -1.491444 -0.933552 0.636138
C -3.472579 1.122309 0.397175
C -2.577849 -0.864825 1.534643
C -3.561302 0.149670 1.420464
H 3.025765 -2.341619 -0.986071
H 1.568321 -2.978361 -0.156452
H 1.859625 1.217588 -0.518977
H 3.195561 0.252240 -1.213499
H 3.629998 -3.062901 1.303271
H 2.335787 -2.052243 2.012193
H 2.521688 0.587617 1.787418
H 3.932174 1.269267 0.928347
H 4.525247 -0.855165 2.226360
H 4.817719 -1.023611 0.477942
H 1.157800 -0.707926 -2.488292
H 0.183126 -1.907692 -1.553389
H -0.705812 -1.682792 0.752693
H -4.227414 1.909375 0.306725
H -2.653501 -1.603576 2.339560
H -4.394255 0.186449 2.130045


