%chk=000118092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118092

0 1
O -3.971183 -0.406039 2.278273
O -1.127882 2.936111 1.426723
O 2.905023 1.162537 -1.412951
O -4.008459 0.402458 0.163866
O 1.686928 5.264910 -1.522108
O -0.046768 5.576831 -2.907478
O 0.768607 0.356197 -1.710679
N -1.232778 0.943879 0.307218
N 1.171633 2.498098 -0.889160
C -1.870163 0.227138 1.426511
C -1.236390 -1.160372 1.638623
C -0.250788 2.902446 -0.852523
C -0.911258 2.286727 0.418453
C -1.556133 -2.146880 0.547635
C -0.377005 4.428741 -0.760783
C -3.376410 0.106630 1.143739
C -0.772104 -2.205436 -0.613090
C -2.645170 -3.020147 0.696022
C 0.353874 5.135840 -1.861472
C 1.528582 1.247285 -1.370782
C -1.075481 -3.131236 -1.615119
C -2.940774 -3.946628 -0.306667
C -2.156511 -4.005035 -1.463565
C 3.457830 -0.165221 -1.703205
C 3.469832 -0.992814 -0.451017
C -5.412367 -0.583596 2.233269
C 4.169162 -0.541456 0.678191
C 2.783289 -2.214184 -0.406500
C 4.183851 -1.311871 1.843509
C 2.803119 -2.982654 0.761095
C 3.503080 -2.533482 1.885336
H -1.753109 0.841239 2.372794
H -0.134330 -1.045759 1.741344
H -1.582469 -1.551290 2.622160
H -0.778528 2.524248 -1.775095
H -1.031311 0.398892 -0.545391
H -1.456891 4.714618 -0.786565
H -0.021714 4.783730 0.242001
H 1.882685 3.187582 -0.622015
H 0.072532 -1.522344 -0.746942
H -3.265076 -2.968494 1.590472
H -0.470129 -3.165126 -2.519720
H -3.786183 -4.622291 -0.188643
H -2.390756 -4.724476 -2.245285
H 4.473588 0.111666 -2.048907
H 2.879615 -0.619698 -2.529435
H -5.894971 0.385598 2.070613
H -5.670139 -1.283363 1.432025
H -5.634284 -0.990084 3.225136
H 2.221030 5.732797 -2.219497
H 4.691024 0.414732 0.645663
H 2.227875 -2.565104 -1.276626
H 4.726001 -0.960272 2.720104
H 2.267578 -3.930965 0.794092
H 3.517674 -3.134012 2.793653


%chk=000118092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118092

0 1
O -3.926204 -0.437941 2.405868
O -1.326780 2.912283 1.355207
O 3.037258 1.312359 -1.235860
O -4.044459 0.613258 0.329765
O 1.564427 5.296473 -1.498437
O -0.128477 5.472419 -3.082844
O 0.937009 0.311781 -1.641270
N -1.219245 0.851206 0.272112
N 1.144395 2.517183 -0.877921
C -1.829422 0.108432 1.373244
C -1.282614 -1.353330 1.467285
C -0.303072 2.808793 -0.907467
C -1.010982 2.205602 0.349816
C -1.734927 -2.280901 0.344328
C -0.566412 4.335589 -0.922093
C -3.367542 0.141285 1.263274
C -1.062830 -2.312078 -0.906880
C -2.854553 -3.132634 0.533955
C 0.245059 5.076022 -1.961401
C 1.639086 1.302987 -1.274572
C -1.507092 -3.166328 -1.941113
C -3.296599 -3.990820 -0.497580
C -2.624581 -4.008975 -1.741592
C 3.708113 -0.009919 -1.497726
C 3.776273 -0.861113 -0.247925
C -5.409189 -0.453367 2.450471
C 4.737236 -0.586554 0.759113
C 2.878262 -1.943195 -0.067606
C 4.794190 -1.375244 1.929041
C 2.934739 -2.735858 1.100713
C 3.892610 -2.452520 2.101928
H -1.576223 0.637045 2.312142
H -0.179068 -1.279822 1.494415
H -1.617975 -1.754399 2.438927
H -0.725917 2.335293 -1.813663
H -0.897485 0.351127 -0.565896
H -1.634630 4.498278 -1.132408
H -0.355067 4.731480 0.086344
H 1.798072 3.267276 -0.633893
H -0.189355 -1.671158 -1.078721
H -3.375447 -3.122821 1.499272
H -0.979532 -3.173212 -2.901642
H -4.160181 -4.644887 -0.331084
H -2.965670 -4.673185 -2.543579
H 4.706072 0.301877 -1.844080
H 3.159884 -0.518152 -2.308909
H -5.798747 0.577583 2.413993
H -5.809316 -1.022451 1.594462
H -5.657678 -0.937642 3.405134
H 2.087200 5.774490 -2.198037
H 5.435141 0.249062 0.626350
H 2.133769 -2.156848 -0.842037
H 5.539446 -1.155339 2.701490
H 2.236798 -3.571142 1.226639
H 3.939132 -3.066750 3.008242


