%chk=000253639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253639

0 1
O -0.251161 1.320425 1.802728
O -3.061233 0.881795 0.159909
O -0.882111 -2.156484 0.772098
O -3.726295 -1.091906 -0.730846
O -2.501455 -2.200539 2.351364
N 1.452980 1.891070 0.277091
N 3.755214 1.929566 0.462661
N 1.280563 0.177756 -1.563534
N 3.469705 -0.615128 -2.322492
N 5.508091 0.161088 -1.409075
C -1.645375 0.552702 -0.003199
C -0.981909 1.874845 -0.409151
C -1.093999 0.206794 1.398671
C 0.052628 2.167309 0.683108
C -0.218523 -1.052055 1.433056
C 1.946337 0.975046 -0.664608
C 2.615594 2.420192 0.949352
C 3.380924 1.024332 -0.546281
C -4.018383 -0.033386 -0.225703
C 4.140209 0.191153 -1.421411
C -2.052212 -2.652189 1.323833
C -5.361321 0.521220 0.088482
C 2.101849 -0.577812 -2.343729
C -2.578969 -3.718319 0.437355
H -1.530984 -0.270313 -0.744540
H -0.545089 1.808257 -1.427122
H -1.741538 2.682645 -0.459571
H 0.011519 3.200589 1.106158
H -1.897886 0.174798 2.173175
H 0.028584 -1.340462 2.470013
H 0.704206 -0.949495 0.829840
H 2.517674 3.138164 1.752911
H -5.319702 1.572041 0.418627
H -5.837077 -0.057229 0.899274
H -6.027199 0.462701 -0.786852
H 1.613629 -1.241197 -3.079728
H 6.023641 0.724604 -0.750076
H 6.016660 -0.447716 -2.031059
H -3.253630 -3.264716 -0.321249
H -3.160486 -4.461299 1.000672
H -1.785769 -4.236648 -0.122652


%chk=000253639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253639

0 1
O -0.155554 0.622480 1.417461
O -3.000263 1.137521 0.199264
O -1.488340 -2.665630 0.133291
O -4.397504 -0.728040 0.300914
O -2.211838 -3.092100 2.310851
N 1.457162 1.804059 0.064278
N 3.553423 2.739237 0.234720
N 2.050773 -0.227409 -1.277099
N 4.453078 -0.309816 -1.803242
N 5.977714 1.349340 -1.090910
C -1.876461 0.248322 -0.238067
C -0.807139 1.148698 -0.862776
C -1.178893 -0.370148 0.993055
C 0.030366 1.629960 0.347802
C -0.482852 -1.709512 0.672557
C 2.328638 0.941710 -0.623864
C 2.257959 2.850270 0.564076
C 3.610529 1.544768 -0.510023
C -4.225038 0.502506 0.454602
C 4.698850 0.867958 -1.135039
C -2.351081 -3.254724 1.078456
C -5.250992 1.497565 0.945378
C 3.170885 -0.780431 -1.835917
C -3.439048 -4.033492 0.382669
H -2.279438 -0.525657 -0.910433
H -0.175041 0.549325 -1.538552
H -1.249181 1.987947 -1.420323
H -0.330814 2.598359 0.741695
H -1.872730 -0.501810 1.839331
H -0.028487 -2.118405 1.590659
H 0.271015 -1.597367 -0.122649
H 1.831868 3.656017 1.158981
H -5.118319 2.475524 0.456948
H -5.125980 1.643808 2.034024
H -6.263321 1.107901 0.761876
H 3.024325 -1.720306 -2.376398
H 6.176839 2.215056 -0.593830
H 6.719762 0.822730 -1.547350
H -4.233376 -3.317953 0.100020
H -3.861245 -4.784819 1.066377
H -3.062549 -4.511244 -0.535311


