%chk=000223750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223750

0 1
S -0.893453 3.227407 0.156748
O -3.532367 -0.985389 0.016922
N 1.068774 -1.589518 0.049457
N 0.451680 -2.832202 0.002864
N 0.246370 0.795406 0.113514
N -2.202768 0.952450 0.083300
C -1.179618 -1.243303 0.036974
C 0.101907 -0.574367 0.072464
C -2.321627 -0.405692 0.046405
C 2.507445 -1.488186 0.058423
C -0.880447 -2.647425 -0.003889
C -4.721985 -0.095695 0.025853
C -0.926972 1.473541 0.113332
C -5.868631 -1.098934 -0.015967
C 0.886104 3.623558 0.171409
C 0.973187 5.144570 0.148559
C 3.122524 -0.276855 0.415275
C 3.278694 -2.613750 -0.290058
C -7.210668 -0.377110 -0.014338
C 4.517518 -0.199218 0.414609
C 4.669866 -2.513003 -0.279960
C 2.431384 5.602659 0.164536
C 5.292995 -1.309596 0.069481
H -1.593140 -3.459587 -0.034939
H -4.664316 0.557716 -0.860373
H -4.687166 0.508491 0.947466
H -5.773112 -1.743160 -0.914544
H -5.796295 -1.790243 0.849163
H 1.389822 3.164213 -0.701639
H 1.366872 3.191723 1.069856
H 0.469760 5.552599 -0.753427
H 0.441134 5.581942 1.019687
H 2.530055 0.600082 0.688012
H 2.795061 -3.555302 -0.560058
H -7.321417 0.282934 -0.883497
H -8.040685 -1.094260 -0.044039
H -7.344389 0.236248 0.885255
H 5.000645 0.738419 0.688604
H 5.272979 -3.380500 -0.547833
H 2.985171 5.224294 -0.702918
H 2.499483 6.696858 0.143664
H 2.955139 5.259645 1.064488
H 6.378985 -1.239660 0.072959


%chk=000223750-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223750

0 1
S -0.997265 3.248047 0.171880
O -3.560354 -1.081071 -0.017023
N 1.081392 -1.545611 -0.006161
N 0.517918 -2.844612 -0.063165
N 0.207173 0.783807 0.083582
N -2.241642 0.879213 0.069337
C -1.166584 -1.282656 -0.011148
C 0.080802 -0.577318 0.026931
C -2.335308 -0.467895 0.014497
C 2.509512 -1.412112 0.010598
C -0.823761 -2.669676 -0.065330
C -4.773635 -0.203746 0.011199
C -0.982301 1.437283 0.100811
C -5.984582 -1.135942 -0.014693
C 0.865225 3.618030 0.199842
C 1.076627 5.140577 0.243701
C 3.112977 -0.130653 0.076404
C 3.307221 -2.582686 -0.039063
C -7.304523 -0.332757 0.007870
C 4.520744 -0.033356 0.091820
C 4.711647 -2.463943 -0.022527
C 2.582547 5.489813 0.268973
C 5.328177 -1.192245 0.042748
H -1.479676 -3.536185 -0.105373
H -4.738652 0.469249 -0.864824
H -4.736076 0.416802 0.924918
H -5.937662 -1.767390 -0.921499
H -5.937285 -1.816809 0.855572
H 1.302477 3.164312 -0.704794
H 1.286049 3.115118 1.086162
H 0.600693 5.610791 -0.638335
H 0.581920 5.562749 1.139643
H 2.483634 0.761135 0.114342
H 2.817992 -3.557612 -0.089147
H -7.382612 0.338526 -0.867593
H -8.174544 -1.012267 -0.010589
H -7.382153 0.289400 0.918942
H 4.986452 0.957258 0.142863
H 5.325933 -3.370298 -0.060859
H 3.097237 5.102027 -0.629794
H 2.730608 6.584268 0.297946
H 3.078084 5.057291 1.158007
H 6.420073 -1.107057 0.055130


