%chk=000244578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244578

0 1
O 0.900831 -3.275988 0.039831
O -1.104396 3.457752 -0.512879
O 0.686117 3.045717 0.625402
O -4.257383 -1.838844 -0.027705
O -4.699373 0.282395 0.001519
N -0.327769 2.704565 0.044676
N -3.935519 -0.665461 -0.008573
C 0.263823 0.230874 0.031160
C 1.742772 0.190470 0.007044
C -0.219325 -1.121083 0.030045
C 2.154615 -1.183564 0.002781
C 0.948954 -2.077488 0.027097
C -0.674146 1.264383 0.025710
C -1.557612 -1.437931 0.023460
C 2.699736 1.188066 -0.017825
C -2.484159 -0.363861 0.005744
C -2.057890 0.960478 -0.001435
C 3.483672 -1.543280 -0.023650
C 4.065720 0.819677 -0.047582
C 4.453276 -0.513033 -0.049501
H -1.910906 -2.479807 0.027563
H 2.434884 2.250371 -0.005371
H -2.797712 1.781754 -0.031340
H 3.784526 -2.592878 -0.024792
H 4.820252 1.609457 -0.065885
H 5.511514 -0.779040 -0.069897


%chk=000244578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244578

0 1
O 0.894488 -3.295703 0.036652
O -1.313662 3.541064 -0.432028
O 0.707580 3.131651 0.528097
O -4.290187 -1.933607 -0.015728
O -4.781495 0.297306 -0.029420
N -0.416500 2.741299 0.032685
N -3.951443 -0.689274 -0.015515
C 0.276396 0.268257 0.045434
C 1.774231 0.212474 0.027058
C -0.210781 -1.084765 0.039810
C 2.165316 -1.167790 0.011133
C 0.955587 -2.038100 0.031042
C -0.716086 1.284308 0.020953
C -1.559971 -1.434213 0.027864
C 2.779746 1.202828 0.004163
C -2.499306 -0.376545 0.001858
C -2.096868 0.966189 -0.013045
C 3.507513 -1.570620 -0.026313
C 4.139496 0.797156 -0.045750
C 4.508668 -0.568597 -0.057464
H -1.880848 -2.479650 0.031179
H 2.529852 2.262498 0.040844
H -2.841486 1.765689 -0.049620
H 3.758377 -2.636189 -0.034238
H 4.919109 1.566043 -0.066087
H 5.566777 -0.848007 -0.087966


