%chk=000238047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238047

0 1
O -2.818641 1.683252 0.144085
O -4.630444 -0.064920 0.329048
N 2.990632 -1.342040 0.022475
N 1.701942 -0.916079 0.088202
C -2.334567 0.400066 0.172659
C -3.366054 -0.594617 0.277733
C -0.664857 -1.356111 0.150878
C -1.003289 0.018113 0.110289
C -3.024622 -1.940206 0.316631
C -1.670775 -2.318032 0.252549
C -1.839093 2.769350 0.042987
C -5.749457 -1.004143 0.438667
C 0.738313 -1.803950 0.084740
C 4.039586 -0.377488 0.041107
C -2.712567 4.008687 0.041096
C -6.955612 -0.085686 0.470408
C 5.361970 -0.866881 -0.027917
C 3.792891 1.007477 0.122091
C 6.422851 0.039713 -0.015747
C 4.871267 1.890048 0.132518
C 6.186546 1.415108 0.063926
H -0.203917 0.753272 0.031542
H -3.783295 -2.712654 0.396078
H -1.424532 -3.377053 0.285401
H -1.167781 2.718228 0.917096
H -1.271163 2.642663 -0.894409
H -5.738963 -1.667064 -0.442979
H -5.629666 -1.586096 1.368118
H 0.876967 -2.893340 0.037194
H -2.112843 4.921840 -0.032317
H -3.421177 3.992244 -0.799290
H -3.319570 4.066578 0.955884
H -7.889587 -0.651094 0.551745
H -6.899092 0.612409 1.318027
H -7.004640 0.534449 -0.436236
H 3.239022 -2.333296 -0.023963
H 5.562423 -1.932007 -0.090391
H 2.769842 1.378037 0.176449
H 7.445725 -0.332857 -0.069063
H 4.686202 2.962423 0.195156
H 7.019223 2.112959 0.072835


%chk=000238047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238047

0 1
O -2.888923 1.783391 0.197363
O -4.756778 -0.088201 0.302508
N 2.996469 -1.262097 0.105118
N 1.705635 -0.794503 0.129525
C -2.421104 0.465741 0.218885
C -3.438361 -0.549325 0.275584
C -0.680767 -1.277621 0.214614
C -1.066069 0.096382 0.189420
C -3.055389 -1.908477 0.300188
C -1.690105 -2.269290 0.270046
C -1.879710 2.859664 0.138101
C -5.831643 -1.098527 0.363623
C 0.725299 -1.679394 0.184544
C 4.094287 -0.382730 0.045083
C -2.647968 4.178279 0.123873
C -7.150722 -0.331089 0.384826
C 5.407473 -0.928898 0.023464
C 3.916572 1.027014 0.005956
C 6.526083 -0.072971 -0.036472
C 5.046565 1.867357 -0.053879
C 6.356962 1.331286 -0.075685
H -0.272595 0.846819 0.146850
H -3.815293 -2.693854 0.342805
H -1.411489 -3.329676 0.289778
H -1.212548 2.788824 1.021894
H -1.265147 2.738926 -0.777853
H -5.764815 -1.762993 -0.522767
H -5.707763 -1.714491 1.278468
H 0.927931 -2.770071 0.209985
H -1.942562 5.028111 0.079401
H -3.315918 4.228859 -0.752705
H -3.263481 4.278896 1.033889
H -8.000410 -1.036581 0.431018
H -7.197585 0.334932 1.262937
H -7.254634 0.286567 -0.523232
H 3.183255 -2.275055 0.130207
H 5.549446 -2.017260 0.053468
H 2.901902 1.431758 0.023227
H 7.532910 -0.505626 -0.052698
H 4.902473 2.953715 -0.083829
H 7.227715 1.993511 -0.122223


