%chk=000213343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213343

0 1
O -0.009874 1.359146 -0.150358
O 0.808202 -0.631127 -0.831483
N -3.417471 -0.130107 -0.205221
C 2.857904 0.120002 1.394968
C 2.264340 1.039402 0.294166
C 3.412043 -1.182713 0.788742
C 3.289501 1.296491 -0.826929
C 4.459008 -0.884954 -0.292147
C 3.860204 -0.007185 -1.399247
C 1.820553 -0.176479 2.480958
C 1.006745 0.435389 -0.299101
C -1.332425 1.031269 -0.669439
C -2.027627 0.073999 0.308898
C -4.415377 -0.247710 0.908433
C -3.477548 -1.314137 -1.128097
C -4.639296 1.118217 1.558962
C -4.709489 -1.208503 -2.027980
H 3.707092 0.682848 1.859171
H 1.991652 2.022075 0.762642
H 2.580239 -1.770966 0.344893
H 3.848612 -1.814322 1.582163
H 4.110567 1.919247 -0.420228
H 2.825391 1.895012 -1.634263
H 4.829580 -1.833288 -0.725019
H 5.339718 -0.387138 0.154976
H 4.623155 0.218153 -2.165776
H 3.052938 -0.569127 -1.916589
H 2.271565 -0.717038 3.320820
H 1.379375 0.742384 2.882760
H 0.998621 -0.797750 2.104790
H -1.814890 2.023704 -0.710789
H -1.229120 0.606385 -1.681519
H -1.438796 -0.864870 0.402209
H -2.040085 0.532194 1.321424
H -5.376150 -0.603752 0.471202
H -4.119440 -0.995387 1.675321
H -2.561794 -1.312528 -1.762458
H -3.479996 -2.283548 -0.584841
H -5.469945 1.083508 2.270628
H -4.875034 1.877103 0.800209
H -3.750448 1.470377 2.094520
H -4.684153 -1.966156 -2.817672
H -4.759402 -0.221362 -2.507759
H -5.641644 -1.336660 -1.466641


%chk=000213343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213343

0 1
O -0.017600 1.472329 0.054631
O 0.758758 -0.535413 -0.838150
N -3.465787 -0.093234 -0.071998
C 2.949987 -0.075884 1.346851
C 2.314274 0.981617 0.384563
C 3.502177 -1.305148 0.581153
C 3.309403 1.348558 -0.763678
C 4.494221 -0.896149 -0.533914
C 3.848729 0.110385 -1.514779
C 1.982472 -0.487092 2.478369
C 0.983186 0.520786 -0.195167
C -1.377749 1.157035 -0.478559
C -2.173884 0.309200 0.531862
C -4.604971 -0.088841 0.882125
C -3.355608 -1.349900 -0.865159
C -5.079686 1.331950 1.242158
C -4.396609 -1.442231 -1.996382
H 3.819147 0.444304 1.807476
H 2.097541 1.897159 0.964800
H 2.657226 -1.863463 0.134877
H 4.000433 -1.982762 1.303062
H 4.158098 1.890677 -0.298052
H 2.827244 2.054134 -1.467692
H 4.836288 -1.794695 -1.082830
H 5.396249 -0.436645 -0.076414
H 4.587818 0.434364 -2.273263
H 3.019559 -0.386008 -2.053302
H 2.492359 -1.141385 3.209578
H 1.594060 0.394734 3.022016
H 1.117816 -1.048393 2.075677
H -1.853353 2.136664 -0.635017
H -1.271255 0.623193 -1.438782
H -1.559309 -0.569125 0.838529
H -2.356773 0.910725 1.439426
H -5.443309 -0.626258 0.402833
H -4.359622 -0.655073 1.816462
H -2.342522 -1.380134 -1.307362
H -3.433022 -2.249621 -0.203751
H -5.939370 1.288356 1.936905
H -5.387461 1.871207 0.329360
H -4.283615 1.921090 1.733496
H -4.254257 -2.374470 -2.574375
H -4.292822 -0.581694 -2.680218
H -5.431459 -1.444751 -1.608063


