%chk=000291974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291974

0 1
O 1.746050 1.979285 -0.898908
O -3.762042 0.849154 0.107604
O 0.866791 2.489822 1.124834
O -2.572261 -1.005535 -0.415161
O 2.610825 -2.177797 0.602028
O 2.904669 -2.777546 -1.455588
N 2.411620 -2.073294 -0.593695
C -0.179728 0.764547 -0.299148
C 0.419375 -0.630569 -0.050818
C -1.469199 0.984818 0.503146
C 1.502107 -0.966333 -1.075380
C 0.826825 1.834209 0.114389
C -2.601325 0.127113 0.007540
C 2.855148 2.918616 -0.699879
C -5.022450 0.191988 -0.252974
C 3.906975 2.287305 0.184708
C -5.453743 -0.737958 0.859794
H -0.399243 0.885012 -1.394030
H -0.397459 -1.392084 -0.101642
H 0.824704 -0.704143 0.984192
H -1.301415 0.773661 1.586520
H -1.765302 2.061331 0.485666
H 2.141643 -0.068630 -1.294762
H 1.058292 -1.264294 -2.053574
H 2.447126 3.854409 -0.277386
H 3.187752 3.068212 -1.743404
H -5.682456 1.071290 -0.371025
H -4.880923 -0.329562 -1.216093
H 3.530356 2.129757 1.207436
H 4.234462 1.310907 -0.193320
H 4.797286 2.924614 0.264393
H -4.783193 -1.607149 0.938425
H -5.448363 -0.233718 1.835026
H -6.467205 -1.122436 0.690584


%chk=000291974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291974

0 1
O 2.161668 1.650271 -0.757654
O -3.708260 0.761015 0.667171
O 0.675836 3.248111 0.051807
O -2.692743 -0.045183 -1.273396
O 1.465096 -2.922500 0.496060
O 2.248338 -3.217183 -1.624482
N 1.653895 -2.529097 -0.714435
C -0.142279 0.962690 -0.458218
C 0.378428 -0.437718 -0.013091
C -1.419254 1.362640 0.311950
C 1.156247 -1.143406 -1.127234
C 0.901174 2.078481 -0.336654
C -2.635325 0.609262 -0.203080
C 3.271304 2.660216 -0.700915
C -4.994601 0.093826 0.279642
C 3.914371 2.676537 0.687424
C -5.020365 -1.355277 0.771571
H -0.416793 0.902247 -1.533346
H -0.491240 -1.060852 0.259304
H 1.005109 -0.346607 0.890793
H -1.313653 1.184998 1.397228
H -1.603993 2.447931 0.201612
H 2.054201 -0.578122 -1.424338
H 0.535179 -1.313201 -2.024224
H 2.854473 3.647091 -0.966394
H 3.969559 2.316962 -1.480720
H -5.761404 0.713545 0.770654
H -5.100926 0.150042 -0.817864
H 3.197497 3.027486 1.448337
H 4.276036 1.672563 0.969010
H 4.778991 3.365797 0.687122
H -4.250146 -1.957989 0.261941
H -4.853547 -1.405894 1.861255
H -6.007176 -1.803682 0.552660


