%chk=000193389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193389

0 1
O -1.224121 0.773498 2.435981
O -5.401815 0.080167 0.633937
O -4.407468 0.520754 -1.432673
O 1.531881 3.539546 -0.551096
N -1.956030 0.120540 0.199307
N 1.080116 1.353435 0.112004
C -0.357309 1.508072 0.056872
C -1.197634 0.654764 -0.976685
C -3.137773 -0.733211 0.306618
C -1.198509 0.791162 1.173870
C -2.951430 -2.110315 -0.411405
C -4.344129 0.015474 -0.277765
C -4.242030 -2.958363 -0.323713
C -1.748923 -2.867160 0.194613
C 1.942161 2.404553 -0.166240
C 3.447840 2.126552 0.045452
C 3.844751 0.680528 0.290087
C 3.874981 0.145748 1.605869
C 4.170833 -0.174289 -0.796127
C 4.220548 -1.206666 1.830401
C 4.518072 -1.526052 -0.575323
C 4.542880 -2.047343 0.739797
H -0.575990 2.586914 -0.017846
H -0.606257 -0.111691 -1.508116
H -1.817184 1.227147 -1.684427
H -3.318005 -0.900336 1.384129
H -2.745988 -1.897164 -1.480675
H 1.481998 0.467841 0.430850
H -4.082694 -3.939442 -0.805891
H -5.095950 -2.472807 -0.829383
H -4.526980 -3.139862 0.729475
H -1.935027 -3.115445 1.256561
H -1.577224 -3.813199 -0.350038
H -0.820154 -2.271361 0.145880
H 3.751896 2.767396 0.894801
H 3.956268 2.536956 -0.845119
H -6.167395 0.572666 0.227596
H 3.633582 0.793742 2.457555
H 4.158611 0.226084 -1.817387
H 4.242112 -1.600340 2.852634
H 4.774032 -2.169370 -1.424701
H 4.815957 -3.094124 0.913021


%chk=000193389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193389

0 1
O -1.099593 0.582215 2.447939
O -5.381192 0.013908 0.802529
O -4.477825 0.602986 -1.255556
O 1.517607 3.524161 -0.563420
N -1.956041 0.117442 0.224978
N 1.081322 1.330343 0.078727
C -0.355197 1.503913 0.109290
C -1.258864 0.744023 -0.943516
C -3.127969 -0.750251 0.327536
C -1.142588 0.703076 1.206033
C -2.964178 -2.077082 -0.486704
C -4.362573 0.023891 -0.152242
C -4.246792 -2.937472 -0.404389
C -1.735552 -2.863216 0.021452
C 1.937700 2.378295 -0.224783
C 3.450958 2.081074 -0.121051
C 3.846905 0.660277 0.243460
C 3.833252 0.228497 1.597321
C 4.219907 -0.271548 -0.760618
C 4.181447 -1.098085 1.937920
C 4.570527 -1.598796 -0.423365
C 4.551394 -2.016777 0.927741
H -0.564997 2.586866 0.130160
H -0.705308 0.022572 -1.569789
H -1.911633 1.376513 -1.564775
H -3.258910 -0.990071 1.398365
H -2.801446 -1.793115 -1.546796
H 1.488943 0.437986 0.370489
H -4.103650 -3.882793 -0.957805
H -5.122365 -2.424449 -0.841260
H -4.487787 -3.190894 0.644927
H -1.879392 -3.183395 1.070557
H -1.580815 -3.769307 -0.591768
H -0.812329 -2.258589 -0.022675
H 3.841076 2.803685 0.620276
H 3.884674 2.378513 -1.092891
H -6.167103 0.524273 0.462071
H 3.553249 0.936815 2.386768
H 4.241995 0.048272 -1.809775
H 4.166987 -1.412070 2.987438
H 4.862508 -2.302501 -1.210991
H 4.826147 -3.044187 1.190891


