%chk=000281833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281833

0 1
O -0.708922 -1.324143 -2.121854
O -2.505907 1.286322 -0.062767
O 3.802182 -1.746210 0.369210
O 1.276440 3.007430 0.299944
O -3.531678 -0.331892 1.189443
N -0.643799 -2.060748 1.570295
N 1.052432 -1.566827 -0.644106
N 3.966743 3.055319 0.373615
N -4.610233 0.646171 -0.655922
C -1.189952 -1.972271 0.175530
C -0.284135 -3.135702 0.589511
C -0.384314 -1.054641 -0.753061
C 1.096912 -2.938045 -0.044363
C -0.285512 0.490157 -0.506078
C 1.842643 -0.523552 -0.183114
C 1.172527 0.679111 -0.162346
C -1.619514 -2.391299 2.629435
C -1.201617 1.056854 0.571312
C 3.307732 -0.649504 0.206014
C 1.815483 1.926959 0.141599
C -2.054432 -0.988636 -2.521480
C 4.003096 0.628701 0.371376
C 3.344434 1.829520 0.315762
C 5.476659 0.539836 0.601620
C -3.555041 0.477949 0.290730
C -5.042173 1.978877 -1.165790
C -5.950737 1.168100 -0.261489
H -2.258608 -2.062913 -0.026597
H -0.627085 -4.163076 0.700126
H 1.932493 -3.038694 0.684439
H 1.263362 -3.669406 -0.866059
H -0.510024 1.006424 -1.479104
H -2.348930 -1.560279 2.723563
H -1.060495 -2.466171 3.578472
H -2.192938 -3.318324 2.488690
H -0.898209 2.085142 0.862546
H -1.308135 0.412783 1.461979
H -2.003391 -1.098763 -3.612109
H -2.311013 0.040331 -2.244282
H -2.764519 -1.701634 -2.092268
H 5.804240 -0.512322 0.679430
H 5.776338 1.029399 1.536773
H 6.042501 0.985036 -0.227700
H 4.934953 3.126567 0.631216
H 3.399074 3.888009 0.482542
H -5.226368 2.026801 -2.245402
H -4.561809 2.892403 -0.801413
H -6.144943 1.487494 0.766035
H -6.801514 0.613159 -0.675605


%chk=000281833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281833

0 1
O -0.451075 -1.418766 -2.287366
O -2.525686 1.062202 -0.239608
O 3.864049 -1.819549 0.361024
O 1.454164 3.140564 -0.158546
O -3.463882 0.543723 1.863341
N -0.761135 -1.984494 1.461037
N 1.080411 -1.538213 -0.492251
N 4.031256 3.031238 0.495126
N -4.764537 0.650832 -0.096399
C -1.192816 -1.913383 0.010627
C -0.359149 -3.087590 0.508320
C -0.280254 -1.045332 -0.866913
C 1.075571 -2.935903 -0.002798
C -0.196516 0.517520 -0.690113
C 1.911089 -0.496341 -0.186184
C 1.265332 0.733902 -0.318521
C -1.833562 -2.321945 2.437573
C -1.149603 1.127478 0.345769
C 3.351888 -0.646973 0.235611
C 1.960888 1.955175 -0.086499
C -1.792426 -1.160304 -2.838689
C 4.083507 0.587179 0.470879
C 3.433619 1.815170 0.307360
C 5.537981 0.507519 0.882968
C -3.579790 0.761469 0.630764
C -5.375306 1.629444 -1.027418
C -6.078176 1.216255 0.278193
H -2.253199 -2.020245 -0.237789
H -0.796857 -4.084727 0.626489
H 1.850250 -3.059941 0.768543
H 1.275121 -3.640534 -0.830548
H -0.412384 0.981396 -1.671379
H -2.375448 -1.396590 2.694630
H -1.355774 -2.729851 3.345135
H -2.571295 -3.067291 2.059605
H -0.907815 2.192723 0.493763
H -1.128051 0.587898 1.305546
H -1.669131 -1.209644 -3.931897
H -2.174230 -0.163421 -2.546118
H -2.519562 -1.932832 -2.519999
H 5.838665 -0.550398 0.949876
H 5.716843 0.974430 1.872642
H 6.204927 1.003614 0.149180
H 5.005056 3.125298 0.770469
H 3.431372 3.852290 0.356606
H -5.726305 1.225511 -1.982054
H -4.931104 2.630145 -1.075676
H -6.099849 1.939298 1.101938
H -6.922775 0.521798 0.242051


