%chk=000276066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276066

0 1
O 3.547790 1.513756 0.183305
O 1.285660 1.854763 -1.264563
O -2.310166 -0.471588 2.684521
O -4.120116 -1.237357 -1.400382
N -3.228705 -0.807029 0.640401
C 2.200054 -0.351605 -0.786867
C 3.606392 0.287071 -0.555742
C 1.061399 0.642909 -0.510198
C 2.137966 -1.579760 0.145566
C 4.412968 -0.671302 0.336978
C 3.596422 -1.965773 0.448958
C -0.322469 0.077160 -0.856725
C -1.438725 1.082822 -0.516953
C -1.708504 1.144699 0.994902
C -2.741036 0.738636 -1.257131
C -2.398466 -0.077391 1.542320
C -3.419539 -0.503182 -0.737960
H 2.147508 -0.695664 -1.844344
H 4.103803 0.498607 -1.523860
H 1.110889 1.025542 0.539577
H 1.586057 -2.413232 -0.316936
H 1.611536 -1.335124 1.087080
H 4.553170 -0.197898 1.331770
H 5.423158 -0.849427 -0.061968
H 3.692487 -2.419679 1.449528
H 3.959053 -2.720825 -0.270691
H -0.365464 -0.185132 -1.931674
H -0.483360 -0.880918 -0.323901
H -1.098707 2.099817 -0.853978
H -2.324643 2.037647 1.241966
H -0.757852 1.302010 1.554515
H -2.558741 0.620077 -2.347541
H -3.459137 1.585965 -1.185232
H 3.032704 2.197653 -0.314070
H 1.290248 1.682047 -2.224887
H -3.710335 -1.640193 1.011813


%chk=000276066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276066

0 1
O 3.579434 1.530417 0.371570
O 1.332927 1.955272 -1.231563
O -2.228435 -0.272227 2.768972
O -4.112934 -1.438432 -1.298494
N -3.151242 -0.782660 0.705866
C 2.215368 -0.324643 -0.722162
C 3.637055 0.305358 -0.438978
C 1.065633 0.675988 -0.499380
C 2.141016 -1.579635 0.194844
C 4.425553 -0.758769 0.367436
C 3.608511 -2.070854 0.258371
C -0.317551 0.124114 -0.892072
C -1.488400 1.102525 -0.606307
C -1.766872 1.276596 0.908511
C -2.794914 0.643617 -1.300619
C -2.370841 0.036089 1.557235
C -3.406789 -0.604565 -0.673720
H 2.189830 -0.661240 -1.782473
H 4.132358 0.533944 -1.406314
H 1.075674 0.999212 0.554909
H 1.446198 -2.351357 -0.181620
H 1.801335 -1.283218 1.207658
H 4.454818 -0.407901 1.415358
H 5.467438 -0.866123 0.020640
H 3.793463 -2.757671 1.102915
H 3.862984 -2.614265 -0.673025
H -0.307325 -0.118922 -1.976033
H -0.482401 -0.835050 -0.362334
H -1.201205 2.088970 -1.016018
H -2.481204 2.110682 1.063731
H -0.860871 1.537509 1.479388
H -2.643150 0.428686 -2.372151
H -3.556500 1.447971 -1.241657
H 3.019107 2.182339 -0.135746
H 1.407340 1.750593 -2.199424
H -3.572114 -1.614247 1.140282


