%chk=000267669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267669

0 1
O -2.683544 -3.241063 2.456379
O 2.686574 -3.239643 -2.455499
O -5.403382 4.444484 0.200932
O 5.399876 4.448824 -0.202126
N -2.382318 -3.941953 0.307573
N 2.385478 -3.940041 -0.306514
C -0.285143 -5.259583 0.710271
C 0.289425 -5.259564 -0.708863
C -1.822878 -5.247315 0.728474
C 1.827148 -5.245987 -0.727078
C -2.725349 -2.975372 1.261483
C 2.727935 -2.973515 -1.260685
C -3.169154 -1.670050 0.710320
C 3.170601 -1.667656 -0.709877
C -3.554501 -0.690534 1.544930
C 3.555319 -0.688112 -1.544743
C -4.006388 0.639202 1.131884
C 4.006074 0.642120 -1.132059
C -4.763375 1.415846 2.040430
C 4.762581 1.419075 -2.040739
C -3.705580 1.169678 -0.132461
C 3.704645 1.172765 0.132067
C -4.897960 3.184797 0.411650
C 4.895495 3.188664 -0.412513
C -5.215263 2.679119 1.692752
C 5.213401 2.682823 -1.693401
C -4.143477 2.442982 -0.505449
C 4.141464 2.446541 0.504710
C -5.153723 5.072721 -1.080719
C 5.149518 5.077283 1.079280
H 0.091932 -4.386681 1.279778
H 0.071502 -6.151042 1.263235
H -0.066454 -6.151510 -1.261537
H -0.088402 -4.387169 -1.278647
H -2.182455 -5.469484 1.764818
H -2.235233 -6.037043 0.063602
H 2.240180 -6.035194 -0.062006
H 2.186912 -5.468117 -1.763368
H -2.284992 -3.705921 -0.672172
H 2.287770 -3.703752 0.673132
H -3.176627 -1.556728 -0.370492
H 3.177788 -1.553970 0.370899
H -3.546355 -0.873696 2.631943
H 3.547513 -0.871642 -2.631696
H -5.000142 1.012345 3.027116
H 4.999824 1.015444 -3.027257
H -3.113089 0.585477 -0.838934
H 3.112513 0.588319 0.838639
H -5.803819 3.287428 2.376506
H 5.801576 3.291382 -2.377262
H -3.896117 2.833951 -1.486463
H 3.893638 2.837629 1.485559
H -5.666084 6.036619 -0.959828
H -5.606513 4.486927 -1.885730
H -4.079939 5.215785 -1.231001
H 5.661129 6.041550 0.958152
H 5.602652 4.492116 1.884554
H 4.075598 5.219540 1.229351


%chk=000267669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267669

0 1
O -2.194604 -3.040259 2.524398
O 2.200774 -3.039044 -2.523952
O -5.270066 4.581056 0.032530
O 5.265520 4.587296 -0.034363
N -2.348742 -4.012521 0.413293
N 2.352179 -4.009154 -0.411614
C -0.245954 -5.365983 0.731539
C 0.251382 -5.365823 -0.729416
C -1.788290 -5.296773 0.861555
C 1.793617 -5.294364 -0.859446
C -2.498986 -2.938839 1.289242
C 2.503016 -2.936219 -1.288393
C -3.041767 -1.698606 0.669852
C 3.043544 -1.694873 -0.669249
C -3.266550 -0.585481 1.432354
C 3.268611 -0.582279 -1.432437
C -3.784316 0.716630 1.001036
C 3.784541 0.720697 -1.001523
C -3.988848 1.735486 1.980492
C 3.989692 1.738817 -1.981616
C -4.095460 1.032936 -0.351342
C 4.093365 1.038524 0.351029
C -4.785233 3.291148 0.278494
C 4.782160 3.296743 -0.279864
C -4.481701 3.002152 1.633340
C 4.480928 3.006230 -1.634898
C -4.588671 2.298921 -0.719095
C 4.584937 2.305274 0.718348
C -5.594750 4.936475 -1.352364
C 5.587756 4.944273 1.350702
H 0.176225 -4.504163 1.283234
H 0.106082 -6.284727 1.245044
H -0.099287 -6.285246 -1.242646
H -0.172124 -4.504782 -1.281314
H -2.071042 -5.415839 1.922104
H -2.258714 -6.111890 0.278475
H 2.265221 -6.108670 -0.276169
H 2.076613 -5.413226 -1.919947
H -2.571357 -3.883255 -0.574316
H 2.572808 -3.878610 0.576277
H -3.250586 -1.710797 -0.408744
H 3.250507 -1.705843 0.409718
H -3.025734 -0.692540 2.500862
H 3.029690 -0.690582 -2.501245
H -3.754969 1.518537 3.029609
H 3.757610 1.520684 -3.030887
H -3.944843 0.281665 -1.134532
H 3.942239 0.287845 1.134689
H -4.639337 3.781850 2.384349
H 4.639040 3.785362 -2.386395
H -4.811946 2.505173 -1.770148
H 4.806458 2.512690 1.769544
H -5.950598 5.975825 -1.304771
H -6.394174 4.286231 -1.757315
H -4.700476 4.877189 -2.002348
H 5.942784 5.983885 1.302703
H 6.387105 4.295086 1.757489
H 4.692524 4.884808 1.999349


