%chk=000296128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296128

0 1
O -0.090485 -2.551109 -0.931064
O -0.318904 -0.361807 -3.311057
O 2.098807 -1.028868 -3.015178
O 1.284796 -2.378580 1.376395
N -1.477586 -0.901096 0.035468
N 3.314460 -2.067931 0.369916
N -2.130737 -0.769420 2.234596
N -2.641998 1.151552 -0.828253
N -3.911753 2.305872 0.920970
N -3.982964 1.570207 3.169035
C -0.013019 -0.345502 -1.918745
C 1.441868 -0.866164 -1.776251
C -0.906661 -1.415522 -1.230222
C 1.315380 -2.232408 -1.052502
C 1.929361 -2.222949 0.356675
C -2.286384 0.238562 0.137861
C -1.416641 -1.474130 1.355852
C 4.014237 -1.797179 1.652624
C 3.835182 -0.340061 2.106136
C 4.572232 0.664271 1.213277
C -2.689121 0.305050 1.514731
C 4.067390 2.100697 1.411420
C 2.675121 2.354885 0.815076
C 2.669579 2.290966 -0.717044
C -3.535944 1.390420 1.887790
C 1.335534 2.761581 -1.311542
C -3.451787 2.140269 -0.357831
C 1.359521 2.727452 -2.838030
H -0.135672 0.686350 -1.499935
H 2.097128 -0.129655 -1.232295
H -1.720188 -1.811018 -1.890648
H 1.721908 -3.072508 -1.664559
H -0.916973 0.393664 -3.530039
H 1.448816 -1.243303 -3.741187
H 3.828706 -1.848319 -0.478650
H 3.598746 -2.481832 2.432250
H 5.087538 -2.052907 1.525575
H -0.808334 -2.363529 1.545441
H 2.750489 -0.099224 2.141052
H 4.183152 -0.240555 3.153010
H 5.658212 0.624512 1.427575
H 4.470621 0.384962 0.147218
H 4.795736 2.805938 0.964146
H 4.047559 2.342649 2.492680
H 1.949673 1.626195 1.227918
H 2.318724 3.349776 1.149188
H 2.881080 1.248945 -1.050551
H 3.495676 2.905667 -1.124567
H 1.106825 3.788064 -0.963108
H 0.501339 2.126714 -0.936170
H -3.779816 2.902488 -1.085251
H 2.136479 3.387262 -3.242636
H 1.564192 1.719291 -3.223442
H 0.404023 3.059092 -3.258542
H -4.600902 2.332032 3.398463
H -3.746420 0.900992 3.886463


%chk=000296128-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296128

0 1
O -0.270490 -2.688700 -0.534841
O -0.198720 -1.344085 -3.334025
O 2.142672 -0.620264 -2.345000
O 1.409398 -2.371925 1.700079
N -1.749568 -0.890167 0.055229
N 3.291060 -2.156653 0.330509
N -2.269560 -0.167500 2.167369
N -3.316924 0.517945 -1.266135
N -4.665880 1.982044 0.181464
N -4.455723 2.016349 2.536417
C -0.339496 -0.761154 -1.995617
C 1.081651 -0.836018 -1.377883
C -1.172287 -1.676017 -1.060721
C 1.125792 -2.274962 -0.762264
C 1.936010 -2.294505 0.550081
C -2.751869 0.071793 -0.102875
C -1.499844 -1.001919 1.440599
C 4.244019 -1.960211 1.442401
C 4.375072 -0.474627 1.857954
C 5.021389 0.421287 0.774834
C -3.058317 0.505729 1.213999
C 4.931658 1.937329 1.092012
C 3.509646 2.542669 0.956538
C 2.994342 2.626172 -0.499835
C -4.065603 1.508251 1.327438
C 1.546543 3.161559 -0.599952
C -4.267811 1.473382 -1.023665
C 1.038181 3.246555 -2.055885
H -0.752132 0.260447 -2.044599
H 1.202379 -0.066840 -0.598105
H -1.993794 -2.180580 -1.598799
H 1.569979 -2.966252 -1.503712
H -0.986722 -1.123221 -3.887386
H 1.788553 -0.950302 -3.218810
H 3.608301 -1.991533 -0.629653
H 3.873950 -2.555599 2.294744
H 5.225089 -2.366705 1.132276
H -0.739489 -1.685069 1.821429
H 3.365816 -0.105737 2.119733
H 4.978756 -0.423852 2.786624
H 6.087501 0.134018 0.664172
H 4.545264 0.228622 -0.207899
H 5.615965 2.490210 0.416274
H 5.305734 2.107229 2.122808
H 2.790728 1.957829 1.566918
H 3.512264 3.563533 1.390737
H 3.038772 1.631334 -0.986386
H 3.668454 3.284272 -1.087488
H 1.489016 4.162449 -0.125620
H 0.873938 2.505884 -0.007123
H -4.773984 1.884744 -1.902234
H 1.648703 3.955603 -2.646276
H 1.107951 2.259984 -2.553607
H -0.013256 3.586016 -2.101486
H -5.181448 2.729449 2.563075
H -4.023827 1.672508 3.391670


