%chk=000265206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265206

0 1
S 0.923243 -1.336854 -1.415096
O 1.957802 -1.223001 -0.031106
O -0.097650 -3.681819 -0.189017
O 1.229232 -2.535514 -2.137694
O 0.973864 -0.049919 -2.072692
N 3.297799 -1.154980 -0.501150
C -0.541051 -1.446414 -0.524626
C -2.538141 -0.378311 0.363814
C -1.339170 -0.307353 -0.352532
C -0.967841 -2.659532 0.042598
C -3.374734 0.826028 0.542811
C -2.945946 -1.610036 0.918806
C -2.172761 -2.754607 0.765915
C -4.711239 0.826374 0.112072
C -2.835907 1.974395 1.145045
C 3.877886 0.116226 -0.097085
C -5.499237 1.967135 0.284433
C -3.630547 3.110907 1.314750
C 5.126035 2.563575 0.457217
C 4.976441 0.160318 0.777679
C 3.394772 1.297772 -0.687489
C -4.961858 3.109769 0.885936
C 5.600897 1.380312 1.043302
C 4.018143 2.511185 -0.407022
C 5.787722 3.873400 0.738638
C -0.427837 -5.008200 0.299401
H -1.020957 0.647456 -0.795238
H -3.882338 -1.658690 1.480815
H -2.493855 -3.695967 1.199660
H -5.129153 -0.057578 -0.365729
H -1.800792 1.977150 1.483340
H 3.747203 -1.947656 -0.017318
H -6.534389 1.966618 -0.053774
H -3.210326 4.000388 1.782222
H 5.349794 -0.748382 1.245345
H 2.536761 1.253458 -1.373721
H 6.458393 1.409331 1.712437
H 3.645568 3.424774 -0.867877
H -5.577814 3.997064 1.018240
H 6.240855 4.289735 -0.173161
H 6.585539 3.795471 1.487979
H 5.066913 4.615176 1.110777
H -1.361588 -5.357487 -0.149698
H -0.461170 -5.011573 1.391833
H 0.427838 -5.590441 -0.076043


%chk=000265206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265206

0 1
S 0.796292 -0.272601 2.243919
O 5.084726 -2.008537 1.134588
O -0.714710 -2.606589 3.379544
O 1.569691 -1.545170 1.166527
O 0.927085 1.172094 1.440949
N 4.251534 -1.050222 0.922608
C -0.951550 -0.824752 1.806801
C -2.957057 -0.455547 0.461625
C -1.643802 -0.076854 0.853758
C -1.506137 -1.969537 2.424645
C -3.714744 0.327104 -0.554936
C -3.513344 -1.610558 1.074169
C -2.812750 -2.361820 2.040434
C -4.665773 -0.301795 -1.406284
C -3.509430 1.727442 -0.701526
C 4.765807 0.131593 0.290231
C -5.388833 0.441050 -2.363456
C -4.229255 2.470671 -1.660675
C 5.640094 2.523769 -0.944905
C 3.848315 1.206977 0.119139
C 6.119368 0.242104 -0.149630
C -5.175345 1.832745 -2.496290
C 4.300933 2.393140 -0.491722
C 6.540849 1.427119 -0.761678
C 6.117477 3.791876 -1.619875
C -1.209907 -3.861562 3.953407
H -1.122865 0.784385 0.415285
H -4.534424 -1.914485 0.818318
H -3.289422 -3.235411 2.494786
H -4.817143 -1.385502 -1.343890
H -2.799727 2.242272 -0.044249
H 2.594360 -1.368183 1.164214
H -6.109797 -0.067633 -3.013469
H -4.057883 3.549327 -1.750136
H 2.810658 1.125510 0.476218
H 6.795247 -0.606236 0.000701
H 3.603686 3.228175 -0.619250
H 7.576287 1.525214 -1.109118
H -5.734961 2.409993 -3.240583
H 7.032370 4.182314 -1.136542
H 5.350134 4.582698 -1.595020
H 6.373417 3.600748 -2.679922
H -1.385275 -4.614721 3.162291
H -2.139166 -3.697243 4.532399
H -0.408632 -4.203655 4.623592


