%chk=000280947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280947

0 1
S 6.033719 -0.030350 -0.035062
O 6.402908 -1.148180 -0.881272
O 6.648588 1.272703 -0.210168
O -0.590792 -1.509607 -0.347518
N 0.137292 0.636076 0.089026
N 6.443691 -0.515418 1.566562
C 4.327219 0.141932 -0.005588
C 1.542428 0.424563 0.046152
C 3.754211 1.389679 0.272378
C 3.500630 -0.958992 -0.266051
C 2.372318 1.543738 0.301694
C 2.115207 -0.829600 -0.240699
C -4.703026 -0.229106 -0.070333
C -0.870845 -0.349609 -0.117552
C -3.297192 -0.651362 -0.150996
C -2.252363 0.181722 -0.020919
C -5.130185 0.995101 -0.610588
C -5.637078 -1.078289 0.550169
C -6.474720 1.366495 -0.525540
C -6.976966 -0.696622 0.640184
C -7.397958 0.524694 0.102041
H 4.399195 2.257429 0.459656
H 3.944940 -1.933837 -0.502730
H 1.943723 2.518782 0.517526
H 1.476637 -1.697633 -0.444713
H -0.161405 1.593760 0.293646
H -3.132742 -1.727664 -0.320603
H -2.380722 1.247132 0.162226
H 6.806458 -1.456025 1.702619
H 6.979958 0.132168 2.138910
H -4.416626 1.650763 -1.107917
H -5.315146 -2.032134 0.967722
H -6.803238 2.314502 -0.950118
H -7.696836 -1.353259 1.127914
H -8.444980 0.817650 0.170039


%chk=000280947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280947

0 1
S 6.181713 -0.120296 -0.050004
O 6.530003 -1.582870 -0.679146
O 6.804417 1.277604 -0.615034
O -0.685028 -1.646929 0.032031
N 0.145668 0.557398 0.000750
N 6.650355 -0.196844 1.728511
C 4.318821 0.062864 -0.017614
C 1.542960 0.340474 -0.005407
C 3.781223 1.360828 -0.025116
C 3.526045 -1.095484 -0.015778
C 2.382147 1.492493 -0.020545
C 2.123779 -0.960645 -0.009501
C -4.769114 -0.164974 0.022600
C -0.894735 -0.394362 0.017144
C -3.361970 -0.582562 0.025011
C -2.250267 0.214862 0.014664
C -5.180899 1.200637 0.021716
C -5.776035 -1.173689 0.020913
C -6.547239 1.539189 0.017575
C -7.145005 -0.835022 0.016605
C -7.536281 0.523794 0.014660
H 4.439717 2.234115 -0.059888
H 3.992844 -2.085174 -0.043254
H 1.936785 2.494998 -0.031618
H 1.471545 -1.835042 -0.009963
H -0.146903 1.537495 -0.008926
H -3.167237 -1.665615 0.034730
H -2.330638 1.310351 0.002083
H 7.076887 -1.120926 1.908580
H 7.287360 0.593471 1.923506
H -4.431128 1.999843 0.025446
H -5.473213 -2.227911 0.022302
H -6.848323 2.592637 0.016925
H -7.903421 -1.625221 0.014854
H -8.598532 0.791716 0.011288


