%chk=000292029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292029

0 1
S 0.054018 2.078732 -1.644173
O -0.230310 -2.141392 -0.242783
O -0.599149 -2.798050 1.890151
N -0.414033 0.507253 0.384101
C -1.834984 0.776861 0.170714
C -0.103118 -0.455514 1.457470
C 0.525555 1.030649 -0.462921
C 1.954480 0.693858 -0.288477
C -2.425840 1.865301 0.827868
C -2.579772 -0.074396 -0.658698
C 2.423564 -0.587083 -0.619034
C 2.848896 1.681967 0.151128
C -0.352051 -1.915535 1.105378
C -3.792352 2.096507 0.646719
C -3.943780 0.174577 -0.826260
C -4.549867 1.254196 -0.174004
C 3.783772 -0.879257 -0.498488
C 4.207383 1.378711 0.275071
C 4.675216 0.100878 -0.048560
C -0.442981 -3.509500 -0.693140
H 0.965186 -0.355505 1.783292
H -0.724357 -0.215293 2.360828
H -1.828542 2.531007 1.448470
H -2.091802 -0.904619 -1.172485
H 1.723252 -1.346060 -0.978849
H 2.486506 2.685241 0.380555
H -4.266053 2.942674 1.143599
H -4.535390 -0.472349 -1.473125
H -5.613399 1.443600 -0.311698
H 4.151206 -1.870163 -0.761013
H 4.903853 2.144078 0.615305
H 5.735891 -0.129474 0.043561
H -0.334994 -3.417306 -1.779763
H -1.446137 -3.840972 -0.406091
H 0.320332 -4.160620 -0.255948


%chk=000292029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292029

0 1
S 0.171594 2.581920 -1.377685
O -0.380544 -2.263430 -0.117534
O -0.775513 -2.638377 2.146138
N -0.355528 0.510315 0.314676
C -1.779429 0.739553 0.096650
C -0.034483 -0.408449 1.424613
C 0.592342 1.250158 -0.382066
C 2.030137 0.841520 -0.265312
C -2.537681 1.439323 1.061606
C -2.396640 0.219416 -1.063285
C 2.439672 -0.496823 -0.524818
C 3.018049 1.821812 0.019243
C -0.447597 -1.870829 1.215829
C -3.924857 1.619761 0.863162
C -3.781233 0.407203 -1.258637
C -4.548848 1.105372 -0.296215
C 3.809413 -0.840066 -0.497773
C 4.382199 1.468595 0.070435
C 4.784455 0.136395 -0.190364
C -0.774250 -3.671047 -0.388569
H 1.050970 -0.383931 1.620999
H -0.547473 -0.081202 2.346905
H -2.045244 1.861437 1.944974
H -1.787583 -0.315123 -1.798157
H 1.687486 -1.251135 -0.780652
H 2.699651 2.856661 0.181552
H -4.512739 2.168568 1.606803
H -4.260964 0.010901 -2.160243
H -5.623687 1.250123 -0.450810
H 4.114415 -1.868491 -0.721906
H 5.132564 2.232699 0.301285
H 5.846060 -0.133508 -0.164169
H -0.643683 -3.794427 -1.472325
H -1.823953 -3.829526 -0.091619
H -0.126879 -4.362366 0.175969


