%chk=000225749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225749

0 1
I -6.619150 -0.424529 -1.584410
O -3.195141 -0.067968 -1.673753
O 0.677673 -2.470534 0.511520
O -4.733565 -0.024751 1.537417
O 6.561822 -0.278033 -0.977002
C -0.970277 1.162694 -0.249528
C -1.819087 -0.044075 0.264160
C 0.452903 1.104169 0.317306
C 1.131384 -0.199504 -0.188243
C -3.229419 0.351372 -0.306966
C 2.581065 -0.351337 0.375266
C -1.848382 2.388095 0.054014
C -1.214276 -1.323094 -0.321351
C -3.293815 1.895677 -0.190622
C 1.281851 2.318952 -0.124899
C 0.251674 -1.428132 0.065843
C -1.882234 -0.148737 1.789400
C 3.376664 0.933545 0.129232
C 2.699672 2.239346 0.444388
C 3.255026 -1.540765 -0.362715
C 2.565191 -0.605336 1.890965
C -4.420740 -0.325055 0.410115
C 4.763261 -1.607609 -0.145372
C 4.656218 0.925334 -0.276896
C 5.436295 -0.305455 -0.524094
C -5.150764 -1.387599 -0.362033
H -0.903063 1.078295 -1.367807
H 0.413685 1.082317 1.435116
H 1.222557 -0.120260 -1.305650
H -1.597584 3.242581 -0.594185
H -1.718967 2.733111 1.094285
H -1.324175 -1.335053 -1.428393
H -1.756487 -2.225338 0.025196
H -3.958256 2.203039 0.639214
H -3.716569 2.335524 -1.109142
H 0.796180 3.254894 0.212127
H 1.321540 2.381584 -1.230131
H -0.882028 -0.152739 2.239771
H -2.440833 0.683305 2.240750
H -2.381483 -1.068827 2.118433
H 2.677989 2.363518 1.549794
H 3.296422 3.097590 0.069870
H 3.046665 -1.476125 -1.448192
H 2.789378 -2.492844 -0.021956
H 3.580471 -0.645000 2.301259
H 2.016308 0.169035 2.434706
H 2.088755 -1.571935 2.117042
H -3.913665 0.359063 -2.199449
H 5.203510 -2.443804 -0.726705
H 5.002461 -1.837731 0.913839
H 5.218671 1.844823 -0.449543
H -5.672522 -2.094069 0.307906
H -4.481612 -1.965628 -1.026596


%chk=000225749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225749

0 1
I -6.481654 -0.759367 -2.109953
O -3.062757 0.144273 -1.784542
O 0.577290 -2.443773 0.923763
O -5.019688 -0.062394 1.284593
O 6.532084 -0.362467 -1.343177
C -0.997405 1.198575 -0.119299
C -1.882299 -0.006755 0.336274
C 0.440847 1.139703 0.431813
C 1.114735 -0.210807 -0.017058
C -3.252706 0.413075 -0.344873
C 2.616125 -0.376153 0.436017
C -1.869818 2.440105 0.188615
C -1.247784 -1.314534 -0.203094
C -3.336545 1.948197 -0.052723
C 1.282466 2.329215 -0.081393
C 0.197198 -1.416290 0.300139
C -2.034958 -0.099707 1.875187
C 3.388117 0.899175 0.042575
C 2.752074 2.233303 0.387478
C 3.222814 -1.609812 -0.307013
C 2.736756 -0.556418 1.984666
C -4.476017 -0.360427 0.187421
C 4.762798 -1.668778 -0.256163
C 4.628545 0.859320 -0.541463
C 5.394962 -0.382142 -0.778596
C -4.992769 -1.530789 -0.638198
H -0.924951 1.118000 -1.224597
H 0.419051 1.184332 1.540002
H 1.124191 -0.158990 -1.132367
H -1.612387 3.295781 -0.458649
H -1.735225 2.768509 1.236211
H -1.260916 -1.284948 -1.309342
H -1.783634 -2.218276 0.138799
H -3.978063 2.118463 0.828464
H -3.809432 2.461735 -0.909942
H 0.843456 3.280020 0.275987
H 1.246382 2.348955 -1.190225
H -1.050837 -0.243214 2.354425
H -2.504952 0.797468 2.309917
H -2.658307 -0.964713 2.160225
H 2.774740 2.363694 1.490700
H 3.350358 3.058586 -0.039175
H 2.912539 -1.565479 -1.371762
H 2.794268 -2.531780 0.118481
H 3.798716 -0.606470 2.284201
H 2.281004 0.285305 2.536849
H 2.237316 -1.488286 2.293928
H -3.835087 0.509690 -2.290539
H 5.153268 -2.520057 -0.841388
H 5.111954 -1.818338 0.786306
H 5.139389 1.790448 -0.821346
H -5.564042 -2.232726 -0.015833
H -4.220016 -2.006041 -1.257023


