%chk=000251897.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251897

0 1
O 5.179473 3.297291 -1.799705
O -7.339004 -1.467232 0.940787
O 3.164494 2.038329 1.769083
O 4.589933 1.351044 -2.743114
O 7.693160 -2.438673 -1.366136
O 8.755589 -0.523245 -0.904830
N -1.760043 -2.131097 1.839402
N 3.710701 0.725933 -0.006963
N -6.576166 2.066157 -0.889938
N -8.035046 0.644244 0.400626
N -8.657574 2.906386 -0.027663
C -3.770362 -1.094276 0.751770
C -4.815978 -1.274104 -0.358101
C -2.828999 -2.307081 0.827002
C -5.809224 -0.150975 -0.345645
C 4.936890 1.486338 -0.286630
C 6.222419 0.665265 -0.085382
C -5.582954 1.052580 -0.941834
C -0.672539 -1.279224 1.608053
C 6.294323 -0.598910 -0.943438
C 1.646269 0.260399 1.209826
C -7.075942 -0.423700 0.387766
C 2.859304 1.097714 1.056255
C 0.115930 -0.870831 2.717679
C -0.291252 -0.883996 0.301488
C 4.861449 1.968958 -1.740287
C 1.254779 -0.107635 2.511622
C 0.858608 -0.127562 0.115111
C -4.343300 1.434577 -1.676637
C -7.775485 1.803966 -0.165136
C 7.703403 -1.098477 -1.045143
H -3.190394 -0.166366 0.584879
H -4.288375 -0.952648 1.722772
H -4.326154 -1.355696 -1.348550
H -5.359018 -2.237946 -0.208491
H -2.368448 -2.512561 -0.165768
H -3.399746 -3.225553 1.100448
H 4.969883 2.391736 0.402529
H 6.304934 0.395484 0.990371
H 7.105611 1.315056 -0.289027
H -2.088444 -2.200191 2.803067
H 5.908970 -0.412080 -1.978264
H 5.635212 -1.398840 -0.538256
H 3.541364 -0.102633 -0.569723
H -0.169077 -1.156604 3.726999
H -0.890315 -1.180915 -0.555025
H -6.363514 2.998803 -1.236728
H 1.857272 0.221975 3.363383
H 1.139725 0.178016 -0.894944
H -3.660311 2.014750 -1.034255
H -4.538350 2.029612 -2.580103
H -3.778617 0.545384 -2.007076
H -8.878573 3.414603 -0.875990
H -9.502942 2.685624 0.505458
H 5.159591 3.665585 -2.725670
H 8.607164 -2.817759 -1.467322


%chk=000251897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251897

0 1
O 5.994960 3.237640 -1.761132
O -6.937131 -1.127764 1.505925
O 4.018702 0.885383 2.269813
O 4.000931 2.250777 -2.421456
O 7.408454 -2.296080 -1.902408
O 8.338350 -1.178071 -0.092576
N -1.795581 -1.966929 2.048272
N 3.703039 0.985026 -0.018495
N -6.841063 1.883870 -1.227684
N -7.913519 0.810064 0.626795
N -8.826069 2.765126 -0.273455
C -3.735690 -0.953732 0.783949
C -4.791506 -1.228573 -0.321410
C -2.843900 -2.193522 1.045954
C -5.830814 -0.130375 -0.392605
C 4.963758 1.705853 -0.207159
C 6.225965 0.795377 -0.088680
C -5.813057 0.915203 -1.293089
C -0.589038 -1.319330 1.811891
C 6.225565 -0.359622 -1.104455
C 1.945996 -0.030120 1.386675
C -6.916026 -0.196550 0.640355
C 3.276231 0.636422 1.259537
C 0.311202 -1.077968 2.898818
C -0.191557 -0.892281 0.506386
C 4.900852 2.401308 -1.560925
C 1.541632 -0.447655 2.685801
C 1.052568 -0.268669 0.307837
C -4.785708 1.173429 -2.370645
C -7.850686 1.785040 -0.269968
C 7.425081 -1.270485 -0.940427
H -3.103141 -0.089168 0.503922
H -4.263692 -0.689941 1.718047
H -4.289825 -1.387812 -1.294682
H -5.322887 -2.163886 -0.060155
H -2.377446 -2.538488 0.101754
H -3.483378 -3.023338 1.400704
H 5.060334 2.475186 0.584611
H 6.238165 0.399109 0.940315
H 7.126423 1.421438 -0.213169
H -2.025985 -2.180147 3.018827
H 6.222712 0.002318 -2.151670
H 5.311901 -0.975216 -0.995011
H 3.104406 0.883591 -0.841013
H 0.027560 -1.395271 3.910336
H -0.853931 -1.048617 -0.350148
H -6.826445 2.654980 -1.897275
H 2.229295 -0.258377 3.516658
H 1.303803 0.036345 -0.715891
H -4.237414 2.116358 -2.180119
H -5.260040 1.253675 -3.368024
H -4.045677 0.362766 -2.414464
H -8.845901 3.544997 -0.924454
H -9.551012 2.676245 0.434786
H 5.927861 3.670551 -2.655056
H 8.202679 -2.881095 -1.765668


