%chk=000277272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277272

0 1
O -4.294176 -1.167045 0.603397
O -0.641972 2.512439 -0.784862
O -6.062640 0.638216 1.017485
O -2.193335 4.344607 -0.182546
O -3.836952 -5.367434 -1.182172
O 6.990456 -1.091213 1.682009
N -2.551264 -3.086167 0.568497
N 1.271485 0.767127 -0.912553
N 6.862451 0.205920 -0.220615
C -2.020190 -0.749794 0.093258
C -1.035034 0.239365 -0.253373
C -1.651410 -2.112966 0.179105
C -3.757699 1.089847 0.373506
C -2.789217 2.074611 0.055798
C 0.289344 -0.144387 -0.503303
C -3.392988 -0.337857 0.360453
C -1.420906 1.668294 -0.357819
C -0.283758 -2.485566 -0.111612
C 0.641436 -1.546010 -0.435441
C -5.057670 1.489043 0.714906
C -3.155662 3.420619 0.116934
C -2.275400 -4.532614 0.499367
C -5.419157 2.870743 0.771011
C -4.475906 3.823570 0.478834
C 2.672545 0.586731 -0.685685
C -2.457353 -5.099453 -0.922415
C 3.557625 1.129362 -1.640354
C 3.181889 -0.071321 0.448541
C 5.439437 0.316450 -0.339761
C 4.931233 0.997288 -1.467612
C 4.556835 -0.214831 0.617160
C 7.558509 -0.493856 0.790275
C 9.054323 -0.425989 0.650174
H -0.002625 -3.539045 -0.065180
H 1.667720 -1.839813 -0.679154
H -3.538491 -2.820739 0.739608
H 0.965672 1.742348 -1.127351
H -1.253166 -4.761325 0.877240
H -2.985542 -5.050568 1.190492
H -6.443610 3.126348 1.047397
H -4.721847 4.884114 0.515548
H -2.053030 -4.426638 -1.699475
H -1.992110 -6.100351 -1.018108
H 3.166219 1.649175 -2.515235
H 2.505994 -0.457266 1.212452
H -5.758328 -0.356556 0.962938
H -2.535753 5.272908 -0.110918
H 5.604496 1.420445 -2.210756
H 4.946216 -0.735486 1.501200
H 7.401282 0.681246 -0.946011
H -4.342006 -4.529664 -1.255044
H 9.438057 0.600915 0.711565
H 9.528943 -0.991618 1.471026
H 9.412231 -0.869959 -0.287822


%chk=000277272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277272

0 1
O -4.455919 -1.192520 0.569121
O -0.455469 2.520280 -0.413674
O -6.181135 0.570135 0.674810
O -2.233486 4.461983 -0.240066
O -3.817775 -5.099166 -1.508825
O 7.449217 -1.378846 1.318465
N -2.767078 -3.106660 0.501748
N 1.314302 0.714950 -0.366333
N 6.989676 0.279398 -0.280072
C -2.101898 -0.761184 0.194303
C -1.062896 0.218552 -0.030146
C -1.783457 -2.171019 0.262655
C -3.810164 1.101475 0.279143
C -2.789670 2.090464 0.039582
C 0.307520 -0.214559 -0.157791
C -3.472915 -0.316687 0.350098
C -1.388849 1.654605 -0.143077
C -0.415674 -2.565080 0.059002
C 0.584576 -1.625614 -0.136587
C -5.185875 1.488119 0.449085
C -3.182894 3.460500 -0.018077
C -2.565124 -4.558160 0.576544
C -5.539221 2.859307 0.383480
C -4.550021 3.821056 0.154335
C 2.717361 0.532490 -0.317733
C -2.533603 -5.230248 -0.817468
C 3.522549 1.345361 -1.164075
C 3.370378 -0.355232 0.581597
C 5.567522 0.335136 -0.250942
C 4.922821 1.250320 -1.127808
C 4.773500 -0.465052 0.614191
C 7.849733 -0.535679 0.463447
C 9.330117 -0.316117 0.147129
H -0.152469 -3.626024 0.044432
H 1.606018 -1.965956 -0.324357
H -3.710525 -2.680540 0.640244
H 0.907306 1.682581 -0.507628
H -1.643193 -4.804184 1.139273
H -3.417561 -4.978490 1.138872
H -6.588801 3.134624 0.515167
H -4.832630 4.881427 0.106621
H -1.707779 -4.811008 -1.430366
H -2.376489 -6.315892 -0.705256
H 3.037538 2.043310 -1.854907
H 2.782221 -0.935510 1.299242
H -5.704448 -0.365233 0.685126
H -2.678967 5.349108 -0.236182
H 5.521078 1.885679 -1.793895
H 5.265786 -1.146873 1.309626
H 7.437909 0.921107 -0.938928
H -4.020746 -4.134074 -1.617785
H 9.638370 0.724226 0.361355
H 9.925122 -0.995571 0.773711
H 9.551311 -0.528817 -0.915430


