%chk=000224512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224512

0 1
O 4.718557 -1.213223 -0.111116
O 1.332656 3.079003 -1.243085
N -0.831651 -1.340701 -0.000846
C 1.281538 -0.065739 -0.096572
C 0.509615 1.144444 -0.135979
C 0.556250 -1.292641 -0.026377
C -1.511002 -0.195741 -0.044087
C -0.858463 1.089606 -0.118054
C 2.698830 -0.096916 -0.129268
C 1.212103 2.479561 -0.203668
C -2.993437 -0.262111 -0.020541
C 1.266165 -2.538779 0.020417
C 1.703684 2.975925 1.138813
C 3.347483 -1.320917 -0.082280
C 2.636591 -2.557720 -0.004547
C -3.671143 -1.147009 -0.873273
C -3.718395 0.560957 0.856163
C 2.588718 4.206924 1.007050
C -5.067804 -1.195760 -0.857212
C -5.114005 0.503840 0.868286
C -5.790020 -0.370629 0.010392
C 5.503522 -2.430134 -0.109396
H -1.471216 1.989123 -0.176288
H 3.278004 0.821284 -0.210209
H 0.681601 -3.461245 0.075912
H 0.824274 3.198201 1.780746
H 2.247269 2.162747 1.666766
H 3.177761 -3.499528 0.031500
H -3.103858 -1.798588 -1.539378
H -3.196241 1.234413 1.533265
H 2.085254 5.002167 0.438753
H 2.861269 4.612070 1.987428
H 3.517053 3.978848 0.466935
H -5.592936 -1.880866 -1.521081
H -5.676518 1.140593 1.549056
H -6.877821 -0.410468 0.020742
H 6.526706 -2.031737 -0.153070
H 5.281392 -3.029386 -0.996934
H 5.341215 -2.987669 0.817134


%chk=000224512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224512

0 1
O 4.717680 -1.010981 -0.168625
O 0.364197 3.670168 -0.027664
N -0.896243 -1.256507 -0.090515
C 1.200342 0.092950 0.093912
C 0.386022 1.281430 0.240168
C 0.480938 -1.163707 -0.053215
C -1.636279 -0.121283 -0.015068
C -1.005336 1.158889 0.151980
C 2.622703 0.080503 0.032265
C 0.921258 2.668788 0.510125
C -3.119283 -0.264521 -0.091592
C 1.227331 -2.376561 -0.192718
C 2.045918 2.881811 1.530977
C 3.322450 -1.126364 -0.119382
C 2.621565 -2.372316 -0.221581
C -3.699456 -1.562891 -0.048955
C -3.982041 0.859358 -0.216407
C 3.192405 3.761811 0.974126
C -5.096218 -1.731660 -0.119566
C -5.381046 0.689104 -0.289526
C -5.946277 -0.605699 -0.238641
C 5.508421 -2.233378 -0.346166
H -1.602690 2.069231 0.245159
H 3.206096 1.003530 0.069677
H 0.658479 -3.305669 -0.292747
H 1.573539 3.417366 2.379727
H 2.422990 1.924527 1.926241
H 3.166067 -3.313895 -0.336119
H -3.027085 -2.421431 0.037580
H -3.573698 1.873581 -0.274796
H 2.779166 4.693271 0.551543
H 3.905283 4.022603 1.775656
H 3.753925 3.244410 0.174542
H -5.524861 -2.739486 -0.081603
H -6.029146 1.566835 -0.390078
H -7.032875 -0.735781 -0.293963
H 6.554105 -1.893716 -0.362275
H 5.265793 -2.735808 -1.302147
H 5.358862 -2.936313 0.495764


