%chk=000270707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270707

0 1
O -8.866946 -2.417695 0.158064
O -8.593857 1.634984 -2.721607
O 9.889164 0.701667 0.953613
O 10.028760 -0.318062 -0.947738
N -6.893282 0.104533 0.193621
N -0.467482 -0.494357 -0.437819
N 0.816659 1.384141 1.307172
N 2.948135 0.631428 0.554919
N 3.122880 -1.130157 -1.119533
N -1.273660 2.044938 2.106320
N 1.238072 -2.159960 -2.056596
N 9.393392 0.157573 -0.019972
C -5.476467 0.058775 0.200089
C -7.638927 -0.615257 1.257704
C -7.596831 0.112814 -1.119401
C -2.661716 0.212851 0.288732
C -4.745622 0.572741 -0.900421
C -4.764338 -0.387341 1.340167
C -7.760917 -2.132593 1.025146
C -8.139772 1.532658 -1.367750
C -3.358439 0.640204 -0.853669
C -3.375701 -0.310081 1.377112
C -1.189390 0.295228 0.336775
C -0.532544 1.262607 1.245029
C 0.908897 -0.393383 -0.371233
C 1.568222 0.544144 0.504538
C 1.756430 -1.237196 -1.189805
C 3.654145 -0.199382 -0.249973
C 5.141367 -0.108263 -0.194551
C 5.760134 0.521859 0.899932
C 5.921257 -0.647879 -1.232749
C 7.150592 0.611419 0.960660
C 7.311955 -0.562343 -1.179062
C 7.915764 0.066701 -0.080510
H -7.154619 -0.412904 2.241209
H -8.654714 -0.159743 1.319491
H -6.927607 -0.181738 -1.960485
H -8.422090 -0.639241 -1.135048
H -5.264702 0.922541 -1.792791
H -5.293070 -0.794837 2.198547
H -6.896707 -2.544482 0.465499
H -7.876885 -2.685691 1.972437
H -8.953913 1.798774 -0.674080
H -7.343910 2.300812 -1.311632
H -2.803892 1.026268 -1.711269
H -2.837216 -0.666169 2.257410
H -9.714517 -2.319002 0.635336
H -9.379772 1.073121 -2.868908
H -2.262263 2.166284 1.947924
H -0.802496 2.765632 2.639753
H 5.145696 0.951569 1.701541
H 5.435136 -1.140886 -2.081315
H 7.645780 1.100492 1.806551
H 7.932624 -0.978647 -1.979560
H 0.238873 -2.289156 -2.132430
H 1.845026 -2.749613 -2.605583


%chk=000270707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270707

0 1
O -8.701783 -2.652053 0.679152
O -8.465298 1.131322 -3.194647
O 9.962460 0.315886 1.098017
O 10.072465 -0.613848 -0.981865
N -6.916701 -0.195204 0.018835
N -0.456867 -0.101526 -0.567181
N 0.873668 1.019527 1.702904
N 2.976781 0.452663 0.756658
N 3.085679 -0.563599 -1.476263
N -1.167325 1.664432 2.592320
N 1.119604 -1.062820 -2.677328
N 9.408540 -0.140099 0.022108
C -5.528003 -0.058734 0.142042
C -7.771621 -0.383826 1.201889
C -7.570367 -0.225503 -1.303495
C -2.658333 0.259673 0.393612
C -4.698944 0.211617 -0.997552
C -4.867416 -0.184025 1.407487
C -7.923600 -1.858864 1.645056
C -7.936773 1.186861 -1.826120
C -3.311462 0.351228 -0.868184
C -3.476697 -0.020463 1.524666
C -1.185711 0.373697 0.468257
C -0.477322 1.006509 1.596782
C 0.914549 -0.045899 -0.483656
C 1.600525 0.468972 0.669995
C 1.729973 -0.562534 -1.562492
C 3.642532 -0.058360 -0.314267
C 5.129347 -0.080665 -0.232982
C 5.783311 0.411357 0.930123
C 5.903435 -0.591590 -1.310217
C 7.185288 0.394841 1.021333
C 7.306897 -0.613735 -1.233845
C 7.930434 -0.119048 -0.065492
H -7.374136 0.212334 2.045210
H -8.775140 0.028573 0.979170
H -6.922257 -0.725745 -2.044487
H -8.478326 -0.851100 -1.223113
H -5.141366 0.325701 -1.990834
H -5.429379 -0.445978 2.308203
H -6.937752 -2.348979 1.681717
H -8.381406 -1.899559 2.657174
H -8.650468 1.681526 -1.132294
H -7.036913 1.818194 -1.900175
H -2.701738 0.548968 -1.755786
H -3.017319 -0.190190 2.505445
H -9.663988 -2.441545 0.786452
H -9.334539 0.656522 -3.196743
H -2.169038 1.825731 2.527538
H -0.612675 2.133216 3.307866
H 5.162092 0.798808 1.742268
H 5.378026 -0.964474 -2.193064
H 7.710986 0.766560 1.904426
H 7.924375 -1.000865 -2.048273
H 0.100297 -1.079254 -2.703665
H 1.684099 -1.443933 -3.432885


