%chk=000236203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236203

0 1
O -0.819395 2.847100 -0.971990
O 1.498437 0.017338 2.029808
N -0.985057 -1.884286 -2.550660
C -0.309312 0.732784 0.037906
C -0.559785 -0.466737 -0.807708
C -0.560391 -1.821499 -0.299275
C -0.802481 -0.531317 -2.176648
C 1.166057 1.168531 -0.042230
C -0.839281 -2.690930 -1.405024
C -1.240382 1.886246 -0.354632
C -0.336196 -2.379719 0.971695
C -0.895992 0.538711 -3.189923
C 1.997781 0.547735 1.057676
C -0.922922 -4.087720 -1.255340
C -2.668973 1.819251 0.072916
C -0.418193 -3.755308 1.116236
C -0.712857 -4.599033 0.015180
C 3.484659 0.608471 0.891251
C -3.285797 0.628392 0.481196
C -3.412045 3.013129 0.051068
C 4.116217 1.659708 0.212431
C 4.254732 -0.420986 1.454450
C -4.628934 0.633990 0.868944
C -4.751380 3.016769 0.443754
C -5.360536 1.825669 0.853978
C 5.508254 1.674984 0.091330
C 5.645907 -0.407149 1.324659
C 6.272650 0.640700 0.643003
H -0.530509 0.469227 1.116205
H 1.241330 2.278541 0.012162
H 1.585452 0.906994 -1.036927
H -1.185417 -2.211893 -3.474845
H -0.083045 -1.729574 1.812997
H -0.413274 1.471247 -2.839472
H -0.411527 0.272709 -4.139081
H -1.943700 0.798911 -3.410781
H -1.139901 -4.730101 -2.101067
H -0.249192 -4.209485 2.090719
H -0.768355 -5.673904 0.181778
H -2.728601 -0.312455 0.491938
H -2.927395 3.936155 -0.279865
H 3.530847 2.472830 -0.216502
H 3.755594 -1.227572 1.997953
H -5.104123 -0.293698 1.184443
H -5.320581 3.944514 0.429516
H -6.405919 1.826801 1.161241
H 5.998484 2.493711 -0.432822
H 6.240112 -1.209957 1.758308
H 7.357534 0.653772 0.543349


%chk=000236203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236203

0 1
O -0.630479 2.991674 -0.526871
O 1.664355 -0.063523 2.045389
N -1.267478 -1.780825 -2.624258
C -0.189974 0.649003 0.042287
C -0.610321 -0.510640 -0.847690
C -0.712764 -1.896397 -0.417183
C -0.949048 -0.473015 -2.208315
C 1.304048 1.027852 -0.110001
C -1.134728 -2.671595 -1.553208
C -1.105073 1.883062 -0.128659
C -0.482346 -2.553786 0.820846
C -1.021018 0.667746 -3.185628
C 2.177573 0.492061 1.026178
C -1.340093 -4.066181 -1.483656
C -2.566641 1.769605 0.203496
C -0.689157 -3.945656 0.897471
C -1.115417 -4.693515 -0.239897
C 3.668172 0.653268 0.923365
C -3.143316 0.603037 0.776320
C -3.393380 2.901793 -0.037647
C 4.286924 1.349086 -0.150501
C 4.482051 0.096169 1.947387
C -4.516650 0.574149 1.097959
C -4.765377 2.869388 0.278491
C -5.331753 1.703359 0.848672
C 5.690805 1.483586 -0.197595
C 5.883398 0.227547 1.897917
C 6.492047 0.922293 0.824119
H -0.313933 0.307570 1.092969
H 1.391170 2.135206 -0.141529
H 1.701998 0.666479 -1.075958
H -1.555540 -2.029808 -3.568326
H -0.122533 -1.991293 1.690185
H -0.603597 1.587442 -2.748461
H -0.451893 0.446251 -4.109257
H -2.065266 0.888216 -3.482805
H -1.660685 -4.646208 -2.356624
H -0.511998 -4.468010 1.844188
H -1.265273 -5.775144 -0.147359
H -2.532685 -0.284166 0.965558
H -2.929766 3.795752 -0.467802
H 3.678946 1.793474 -0.945148
H 3.986109 -0.432109 2.768385
H -4.951025 -0.328376 1.541222
H -5.392788 3.747057 0.087858
H -6.398487 1.676023 1.098742
H 6.160392 2.024541 -1.026374
H 6.502826 -0.206967 2.690097
H 7.582268 1.026122 0.784945


