%chk=000256651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256651

0 1
O 1.738332 1.947160 0.801153
O -1.738580 -1.947031 0.800778
N 2.713699 -0.511523 -0.219221
N -2.713724 0.511650 -0.219823
C 3.921195 0.021430 0.488141
C -3.921320 -0.021290 0.487391
C 3.674215 -1.483139 0.368854
C -3.674303 1.483273 0.368156
C 1.391227 -0.341653 0.202432
C -1.391326 0.341772 0.202112
C 4.945662 0.709624 -0.368195
C -4.945691 -0.709453 -0.369084
C 0.941822 1.106817 0.446876
C -0.941979 -1.106692 0.446692
C 0.490505 -1.349053 0.265065
C -0.490622 1.349173 0.264886
H 3.777498 0.504684 1.470869
H -3.777747 -0.504573 1.470122
H 4.233414 -2.082970 -0.356958
H 3.407317 -2.071661 1.248519
H -4.233405 2.083117 -0.357720
H -3.407499 2.071785 1.247855
H 5.947083 0.626896 0.072719
H 4.991893 0.297249 -1.386521
H 4.707235 1.779768 -0.472590
H -4.991807 -0.297041 -1.387399
H -4.707249 -1.779592 -0.473493
H -5.947159 -0.626742 0.071724
H 0.778362 -2.396641 0.162989
H -0.778450 2.396756 0.162669


%chk=000256651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256651

0 1
O 1.819577 2.065613 0.110895
O -1.819515 -2.065217 0.115541
N 2.753564 -0.530234 -0.099052
N -2.753618 0.530522 -0.099401
C 3.923736 0.016359 0.615154
C -3.923955 -0.016381 0.614284
C 3.673577 -1.507662 0.513853
C -3.673830 1.507689 0.513634
C 1.401632 -0.331053 0.016745
C -1.401722 0.331254 0.016660
C 4.994538 0.722986 -0.191822
C -4.994471 -0.722768 -0.193274
C 0.948163 1.128338 0.053168
C -0.948270 -1.128192 0.051583
C 0.478912 -1.370588 0.037261
C -0.478991 1.370779 0.037430
H 3.698398 0.471415 1.589270
H -3.698901 -0.471769 1.588317
H 4.281964 -2.099102 -0.179566
H 3.320060 -2.043299 1.405314
H -4.282086 2.099363 -0.179700
H -3.320549 2.043003 1.405382
H 5.944645 0.755975 0.371629
H 5.170834 0.209981 -1.153125
H 4.667763 1.755700 -0.401785
H -5.170515 -0.209408 -1.154433
H -4.667552 -1.755373 -0.403544
H -5.944743 -0.756032 0.369885
H 0.803352 -2.416632 0.034544
H -0.803399 2.416833 0.034149


