%chk=000198848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198848

0 1
O 3.408206 -3.077985 -0.107930
O -5.176827 0.522024 -1.724245
O -5.875431 2.278666 0.463642
O 4.603869 1.951060 2.023728
O 5.647772 2.844043 0.088223
N -1.075671 -1.953699 0.104750
N 1.602636 -2.006174 -1.000839
C -0.223062 -0.719377 0.115514
C -0.223297 -3.182138 0.243387
C 0.767915 -0.778896 -1.065727
C 0.780239 -3.245879 -0.926533
C -2.098990 -1.910306 1.202994
C -3.083900 -0.788223 0.973672
C 2.886755 -2.022853 -0.429761
C 3.607729 -0.706458 -0.353138
C -3.687436 -0.636611 -0.284630
C -3.417778 0.072624 2.030541
C -4.618712 0.386169 -0.462676
C -4.942597 1.260660 0.600311
C -4.346888 1.102783 1.852780
C 3.675412 -0.064426 0.909441
C 4.220864 -0.187500 -1.490492
C 4.382621 1.114516 0.937316
C 5.011072 1.653755 -0.227983
C -6.378489 1.343246 -1.739058
C -6.159912 2.614409 -0.923317
C 4.948135 1.025798 -1.451364
C 5.423277 3.057900 1.522195
H -0.892910 0.161130 -0.012268
H 0.324363 -0.573769 1.070466
H 0.321320 -3.231374 1.210926
H -0.888692 -4.071650 0.197836
H 0.204842 -0.804981 -2.029228
H 1.401178 0.132458 -1.084264
H 1.449304 -4.130784 -0.810669
H 0.240117 -3.353541 -1.894171
H -1.644097 -1.836037 2.215870
H -2.659571 -2.876417 1.181092
H -3.427365 -1.298040 -1.112877
H -2.951523 -0.053385 3.006019
H -4.609122 1.776727 2.665868
H 3.211642 -0.490568 1.795188
H 4.150072 -0.724046 -2.439022
H -7.206631 0.728890 -1.341242
H -6.518218 1.531910 -2.818079
H -5.312679 3.213805 -1.302835
H -7.066656 3.237909 -0.830991
H 5.430340 1.428727 -2.337607
H 6.398051 3.012504 2.026055
H 4.845621 3.984305 1.637230


%chk=000198848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198848

0 1
O 3.425952 -2.811098 0.198329
O -5.132833 0.568465 -2.037451
O -6.646117 1.827003 0.136068
O 6.517623 1.238834 1.669544
O 6.368998 2.798888 -0.149523
N -1.200571 -1.793027 0.362204
N 1.541737 -1.645613 -0.529136
C -0.413574 -0.550975 0.545442
C -0.321546 -2.986059 0.435498
C 0.688654 -0.435912 -0.530052
C 0.771946 -2.905492 -0.646391
C -2.360793 -1.879896 1.280692
C -3.460054 -0.871210 0.962972
C 2.883181 -1.709057 -0.148384
C 3.708458 -0.446620 -0.191487
C -3.789227 -0.569607 -0.378577
C -4.211716 -0.273855 2.006668
C -4.844505 0.312922 -0.673751
C -5.587215 0.918213 0.379123
C -5.269264 0.614264 1.717301
C 4.681982 -0.278217 0.838861
C 3.634452 0.475685 -1.267805
C 5.512653 0.835490 0.752906
C 5.426764 1.756796 -0.315340
C -6.459605 1.188809 -2.239908
C -6.658377 2.340966 -1.250352
C 4.501430 1.598370 -1.349524
C 7.185112 2.403424 1.033618
H -1.093035 0.315893 0.459947
H 0.062328 -0.515916 1.559781
H 0.167476 -3.084053 1.437214
H -0.934279 -3.890870 0.265263
H 0.209385 -0.325858 -1.523107
H 1.301880 0.455036 -0.330080
H 1.480272 -3.743014 -0.545463
H 0.295847 -2.933040 -1.645921
H -2.057479 -1.761608 2.352306
H -2.768691 -2.906758 1.183397
H -3.219754 -1.024060 -1.195419
H -3.967068 -0.498354 3.051420
H -5.849385 1.091996 2.512971
H 4.769923 -1.017194 1.638490
H 2.920037 0.302426 -2.079060
H -7.246725 0.422149 -2.101086
H -6.463735 1.543884 -3.282947
H -5.853627 3.092688 -1.368508
H -7.641198 2.822374 -1.378432
H 4.453636 2.301115 -2.184764
H 8.191156 2.101449 0.688410
H 7.206390 3.241122 1.748142


